N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide

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  • Identifiers

    CAS number
    745047-94-3

    Molecular formula
    C19H23N3O3

    SMILES
    CC1=CC(=C(C=C1)CNC(=O)C(=O)NCCC2=NC=C(C=C2)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 43.65%
    Savory 36.72%
    Meaty 30.82%
    Roasted 28.37%
    Cooked 25.76%
    Cooling 25.36%
    Milky 24.25%
    Grape 24.0%
    Citrus 21.52%
    Animal 20.08%

     

    Flavor
    Bitter 67.85%
    Odorless 43.71%
    Bland 29.46%
    Mild 22.8%
    Sweet-like 21.17%
    Nitrile 19.58%
    Orange flower 19.44%
    Cedarleaf 19.25%
    Heather 19.04%
    Parsley 18.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.88 (neutral)

    Molecular weight
    341.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    549°C

    Flash point

    • 233.43 ˚C est.

    Solubility expt.

    • Soluble in non-polar organic solvents; insoluble in water
    • Sparingly soluble (in ethanol)

  • Synonyms

    • 745047-94-3
    • N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide
    • FEMA No. 4234
    • 50H0N03SQU
    • DTXSID10225505
    • N'-((2-Methoxy-4-methyl-phenyl)methyl)-N-(2-(5-methyl-2-pyridyl)ethyl)oxamide
    • Ethanediamide, N-((2-methoxy-4-methylphenyl)methyl)-N'-(2-(5-methyl-2-pyridinyl)ethyl)-
    • Ethanediamide, N1-((2-methoxy-4-methylphenyl)methyl)-N2-(2-(5-methyl-2-pyridinyl)ethyl)-
    • N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide [FHFI]
    • N-((2-METHOXY-4-METHYLPHENYL)METHYL)-N'-(2-(5-METHYL-2-PYRIDINYL)ETHYL)ETHANEDIAMIDE
    • N-[(2-methoxy-4-methylphenyl)methyl]-N'-[2-(5-methylpyridin-2-yl)ethyl]ethanediamide
    • N'-[(2-methoxy-4-methyl-phenyl)methyl]-N-[2-(5-methyl-2-pyridyl)ethyl]oxamide
    • N-((2-methoxy-4-methylphenyl)methyl)-N'-(2-(5-methylpyridin-2-yl)ethyl)ethanediamide
    • N-[(2-Methoxy-4-methylphenyl)methyl]-N'-[2-(5-methyl-2-pyridinyl)ethyl]ethanediamide
    • RefChem:831369
    • DTXCID70147996
    • N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methylpyridin-2-yl)ethyl]oxamide
    • Ethanediamide,N1-[(2-methoxy-4-methylphenyl)methyl]-N2-[2-(5-methyl-2-pyridinyl)ethyl]-
    • UNII-50H0N03SQU
    • SCHEMBL702950
    • SCHEMBL30777573
    • CHEBI:174596
    • HY-W616620
    • AC-30885
    • FM157672
    • NS00121567
    • Q27260784
    • N~1~-[(2-Methoxy-4-methylphenyl)methyl]-N~2~-[2-(5-methylpyridin-2-yl)ethyl]ethanediamide
    • N1-(2-methoxy-4-methylbenzyl)-N2- (2-(5-methylpyridin-2-yl)ethyl) oxalamide
    • N1-(2-methoxy-4-methylbenzyl)-N2-(2-(5-methylpyridin-2-yl)ethyl) oxalamide
    • N1-[(2-Methoxy-4-methylphenyl)methyl]-N2-[2-(5-methyl-2-pyridinyl)ethyl]ethanediamide
    • 745047-94-3

  • Applications

    N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide, CAS 745047-94-3, is commonly used as an intermediate in pharmaceutical R&D, serving as a versatile medicinal chemistry scaffold for building small-molecule drug candidates and their analogs. In practice, it may function as a chemical synthesis intermediate and as a building block for library generation to explore biological activity in early discovery. It is suitable for laboratory-scale synthesis and process development, enabling functional group transformations and coupling reactions that support SAR studies. The compound can be used to explore structure-activity relationships by varying substituents on the benzyl and pyridinyl-ethyl moieties. Its application scope is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.96
    methanol 21.76
    isopropanol 5.65
    water 0.56
    ethyl acetate 6.36
    n-propanol 9.62
    acetone 18.61
    n-butanol 7.03
    acetonitrile 3.98
    DMF 39.4
    toluene 4.26
    isobutanol 6.54
    1,4-dioxane 9.54
    methyl acetate 7.47
    THF 24.58
    2-butanone 16.21
    n-pentanol 6.71
    sec-butanol 7.42
    n-hexane 0.19
    ethylene glycol 8.83
    NMP 41.39
    cyclohexane 0.19
    DMSO 118.78
    n-butyl acetate 3.41
    n-octanol 1.65
    chloroform 28.93
    n-propyl acetate 3.78
    acetic acid 43.57
    dichloromethane 36.84
    cyclohexanone 24.57
    propylene glycol 9.9
    isopropyl acetate 4.12
    DMAc 99.94
    2-ethoxyethanol 28.41
    isopentanol 6.03
    n-heptane 0.15
    ethyl formate 7.87
    1,2-dichloroethane 21.48
    n-hexanol 4.46
    2-methoxyethanol 37.23
    isobutyl acetate 2.25
    tetrachloromethane 3.26
    n-pentyl acetate 3.88
    transcutol 40.39
    n-heptanol 3.66
    ethylbenzene 1.87
    MIBK 6.62
    2-propoxyethanol 19.09
    tert-butanol 7.07
    MTBE 3.23
    2-butoxyethanol 13.43
    propionic acid 14.21
    o-xylene 3.57
    formic acid 51.8
    diethyl ether 2.82
    m-xylene 3.02
    p-xylene 2.36
    chlorobenzene 6.35
    dimethyl carbonate 9.26
    n-octane 0.11
    formamide 62.2
    cyclopentanone 30.22
    2-pentanone 10.24
    anisole 4.7
    cyclopentyl methyl ether 6.77
    gamma-butyrolactone 30.18
    1-methoxy-2-propanol 20.94
    pyridine 14.43
    3-pentanone 9.35
    furfural 37.67
    n-dodecane 0.08
    diethylene glycol 25.37
    diisopropyl ether 0.92
    tert-amyl alcohol 8.94
    acetylacetone 15.78
    n-hexadecane 0.09
    acetophenone 9.13
    methyl propionate 10.0
    isopentyl acetate 4.29
    trichloroethylene 50.39
    n-nonanol 1.93
    cyclohexanol 6.85
    benzyl alcohol 10.63
    2-ethylhexanol 2.47
    isooctanol 3.17
    dipropyl ether 1.98
    1,2-dichlorobenzene 7.61
    ethyl lactate 6.91
    propylene carbonate 14.41
    n-methylformamide 23.38
    2-pentanol 3.88
    n-pentane 0.16
    1-propoxy-2-propanol 10.14
    1-methoxy-2-propyl acetate 8.9
    2-(2-methoxypropoxy) propanol 13.3
    mesitylene 1.56
    ε-caprolactone 17.24
    p-cymene 1.52
    epichlorohydrin 41.77
    1,1,1-trichloroethane 9.96
    2-aminoethanol 14.09
    morpholine-4-carbaldehyde 32.21
    sulfolane 63.86
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 9.3
    n-hexyl acetate 3.83
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 15.66
    sec-butyl acetate 2.49
    tert-butyl acetate 5.41
    decalin 0.21
    glycerin 24.14
    diglyme 29.87
    acrylic acid 19.48
    isopropyl myristate 1.62
    n-butyric acid 13.51
    acetyl acetate 5.98
    di(2-ethylhexyl) phthalate 4.55
    ethyl propionate 4.22
    nitromethane 49.23
    1,2-diethoxyethane 5.4
    benzonitrile 6.76
    trioctyl phosphate 2.79
    1-bromopropane 4.71
    gamma-valerolactone 43.5
    n-decanol 1.44
    triethyl phosphate 4.28
    4-methyl-2-pentanol 2.66
    propionitrile 4.41
    vinylene carbonate 14.81
    1,1,2-trichlorotrifluoroethane 55.32
    DMS 7.34
    cumene 1.41
    2-octanol 1.85
    2-hexanone 6.24
    octyl acetate 2.46
    limonene 1.91
    1,2-dimethoxyethane 21.51
    ethyl orthosilicate 3.93
    tributyl phosphate 3.08
    diacetone alcohol 14.81
    N,N-dimethylaniline 4.51
    acrylonitrile 8.58
    aniline 9.55
    1,3-propanediol 16.73
    bromobenzene 5.36
    dibromomethane 15.92
    1,1,2,2-tetrachloroethane 36.13
    2-methyl-cyclohexyl acetate 4.73
    tetrabutyl urea 4.74
    diisobutyl methanol 1.72
    2-phenylethanol 8.18
    styrene 2.02
    dioctyl adipate 4.1
    dimethyl sulfate 27.78
    ethyl butyrate 3.6
    methyl lactate 13.83
    butyl lactate 6.99
    diethyl carbonate 3.14
    propanediol butyl ether 10.38
    triethyl orthoformate 3.75
    p-tert-butyltoluene 1.37
    methyl 4-tert-butylbenzoate 11.06
    morpholine 14.39
    tert-butylamine 2.39
    n-dodecanol 1.04
    dimethoxymethane 23.5
    ethylene carbonate 10.86
    cyrene 21.46
    2-ethoxyethyl acetate 8.91
    2-ethylhexyl acetate 3.16
    1,2,4-trichlorobenzene 10.69
    4-methylpyridine 11.65
    dibutyl ether 1.32
    2,6-dimethyl-4-heptanol 1.72
    DEF 14.36
    dimethyl isosorbide 19.83
    tetrachloroethylene 26.46
    eugenol 12.53
    triacetin 8.32
    span 80 9.03
    1,4-butanediol 10.92
    1,1-dichloroethane 10.56
    2-methyl-1-pentanol 6.16
    methyl formate 20.19
    2-methyl-1-butanol 7.26
    n-decane 0.14
    butyronitrile 4.06
    3,7-dimethyl-1-octanol 1.91
    1-chlorooctane 0.8
    1-chlorotetradecane 0.33
    n-nonane 0.11
    undecane 0.1
    tert-butylcyclohexane 0.19
    cyclooctane 0.1
    cyclopentanol 7.84
    tetrahydropyran 5.98
    tert-amyl methyl ether 4.18
    2,5,8-trioxanonane 21.3
    1-hexene 0.93
    2-isopropoxyethanol 14.7
    2,2,2-trifluoroethanol 27.61
    methyl butyrate 6.0

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction