N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide

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  • Identifiers

    CAS number
    745047-97-6

    Molecular formula
    C18H21N3O3

    SMILES
    CC1=CC(=C(C=C1)CNC(=O)C(=O)NCCC2=CC=CC=N2)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 42.65%
    Savory 38.29%
    Meaty 32.11%
    Roasted 28.02%
    Cooked 26.48%
    Cooling 24.52%
    Milky 24.05%
    Grape 22.74%
    Citrus 20.88%
    Bitter 19.79%

     

    Flavor
    Bitter 62.46%
    Odorless 43.28%
    Bland 26.38%
    Mild 24.16%
    Sweet-like 20.65%
    Orange flower 19.66%
    Nitrile 19.56%
    Bread crust 19.08%
    Taco 18.99%
    Very mild 18.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.05 (neutral)

    Molecular weight
    327.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    624°C

    Flash point

    • 234.44 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 745047-97-6
    • N1-(2-METHOXY-4-METHYLBENZYL)-N2-(2-(PYRIDIN-2-YL)ETHYL)OXALAMIDE
    • FEMA No. 4231
    • 5PO1WPH92W
    • N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide
    • DTXSID70225506
    • N'-((2-Methoxy-4-methyl-phenyl)methyl)-N-(2-(2-pyridyl)ethyl)oxamide
    • Ethanediamide, N-((2-methoxy-4-methylphenyl)methyl)-N'-(2-(2-pyridinyl)ethyl)-
    • Ethanediamide, N1-((2-methoxy-4-methylphenyl)methyl)-N2-(2-(2-pyridinyl)ethyl)-
    • N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide [FHFI]
    • N-[(2-methoxy-4-methylphenyl)methyl]-N'-[2-(pyridin-2-yl)ethyl]ethanediamide
    • N-((2-METHOXY-4-METHYLPHENYL)METHYL)-N'-(2-(2-PYRIDINYL)ETHYL)ETHANEDIAMIDE
    • N-((2-methoxy-4-methylphenyl)methyl)-N'-(2-(pyridin-2-yl)ethyl)ethanediamide
    • RefChem:831370
    • DTXCID30147997
    • N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
    • UNII-5PO1WPH92W
    • SCHEMBL701181
    • SCHEMBL30557690
    • CHEBI:175180
    • NS00121188
    • Q27262698
    • N~1~-[(2-Methoxy-4-methylphenyl)methyl]-N~2~-[2-(pyridin-2-yl)ethyl]ethanediamide
    • 745047-97-6

  • Applications

    Chemical name: N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide; CAS number: 745047-97-6. Primarily used as a synthetic intermediate and building block in pharmaceutical and medicinal chemistry, enabling access to amide-containing scaffolds for lead-optimization programs. It also functions as a ligand precursor for metal-catalyzed processes and coordination chemistry, supporting the design of homogeneous catalysts. In organic synthesis, the oxalamide core provides a versatile platform for selective functionalization to access more complex molecules. The compound can serve as a precursor or crosslinking component in polymers and advanced materials, including coatings and specialty plastics, where its aromatic substituents influence physicochemical properties. Depending on formulation and regulatory constraints, it may be encountered in research contexts such as materials science and related industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.83
    methanol 17.13
    isopropanol 4.09
    water 0.86
    ethyl acetate 5.4
    n-propanol 6.85
    acetone 14.06
    n-butanol 5.36
    acetonitrile 3.67
    DMF 40.94
    toluene 3.38
    isobutanol 4.89
    1,4-dioxane 6.88
    methyl acetate 5.71
    THF 18.53
    2-butanone 12.45
    n-pentanol 4.88
    sec-butanol 5.39
    n-hexane 0.18
    ethylene glycol 9.71
    NMP 43.93
    cyclohexane 0.17
    DMSO 137.01
    n-butyl acetate 3.16
    n-octanol 1.26
    chloroform 20.41
    n-propyl acetate 3.11
    acetic acid 38.27
    dichloromethane 30.89
    cyclohexanone 20.89
    propylene glycol 8.42
    isopropyl acetate 3.6
    DMAc 106.19
    2-ethoxyethanol 21.93
    isopentanol 5.0
    n-heptane 0.15
    ethyl formate 6.33
    1,2-dichloroethane 19.39
    n-hexanol 3.69
    2-methoxyethanol 31.6
    isobutyl acetate 1.79
    tetrachloromethane 2.65
    n-pentyl acetate 2.96
    transcutol 39.19
    n-heptanol 2.77
    ethylbenzene 1.56
    MIBK 5.76
    2-propoxyethanol 16.35
    tert-butanol 5.7
    MTBE 2.68
    2-butoxyethanol 10.42
    propionic acid 12.14
    o-xylene 3.11
    formic acid 51.98
    diethyl ether 2.47
    m-xylene 2.58
    p-xylene 1.89
    chlorobenzene 5.47
    dimethyl carbonate 8.63
    n-octane 0.1
    formamide 61.89
    cyclopentanone 25.7
    2-pentanone 8.59
    anisole 3.95
    cyclopentyl methyl ether 5.58
    gamma-butyrolactone 26.22
    1-methoxy-2-propanol 17.46
    pyridine 12.22
    3-pentanone 8.48
    furfural 34.27
    n-dodecane 0.07
    diethylene glycol 24.1
    diisopropyl ether 0.84
    tert-amyl alcohol 7.15
    acetylacetone 14.22
    n-hexadecane 0.08
    acetophenone 8.01
    methyl propionate 9.22
    isopentyl acetate 3.83
    trichloroethylene 42.52
    n-nonanol 1.5
    cyclohexanol 5.59
    benzyl alcohol 8.44
    2-ethylhexanol 2.23
    isooctanol 2.48
    dipropyl ether 1.97
    1,2-dichlorobenzene 6.49
    ethyl lactate 6.18
    propylene carbonate 11.96
    n-methylformamide 21.91
    2-pentanol 3.09
    n-pentane 0.15
    1-propoxy-2-propanol 9.09
    1-methoxy-2-propyl acetate 8.52
    2-(2-methoxypropoxy) propanol 12.3
    mesitylene 1.39
    ε-caprolactone 14.29
    p-cymene 1.44
    epichlorohydrin 35.15
    1,1,1-trichloroethane 8.12
    2-aminoethanol 12.44
    morpholine-4-carbaldehyde 30.18
    sulfolane 66.77
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 7.19
    n-hexyl acetate 3.07
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 13.81
    sec-butyl acetate 2.16
    tert-butyl acetate 4.84
    decalin 0.19
    glycerin 25.09
    diglyme 26.21
    acrylic acid 18.68
    isopropyl myristate 1.43
    n-butyric acid 11.8
    acetyl acetate 5.47
    di(2-ethylhexyl) phthalate 3.98
    ethyl propionate 3.86
    nitromethane 44.09
    1,2-diethoxyethane 4.97
    benzonitrile 5.95
    trioctyl phosphate 2.4
    1-bromopropane 4.23
    gamma-valerolactone 36.58
    n-decanol 1.16
    triethyl phosphate 4.16
    4-methyl-2-pentanol 2.26
    propionitrile 4.08
    vinylene carbonate 13.31
    1,1,2-trichlorotrifluoroethane 51.07
    DMS 6.52
    cumene 1.21
    2-octanol 1.41
    2-hexanone 5.16
    octyl acetate 2.18
    limonene 1.85
    1,2-dimethoxyethane 18.28
    ethyl orthosilicate 3.65
    tributyl phosphate 2.86
    diacetone alcohol 12.99
    N,N-dimethylaniline 4.05
    acrylonitrile 8.07
    aniline 8.15
    1,3-propanediol 14.2
    bromobenzene 4.61
    dibromomethane 13.53
    1,1,2,2-tetrachloroethane 29.61
    2-methyl-cyclohexyl acetate 4.19
    tetrabutyl urea 4.51
    diisobutyl methanol 1.62
    2-phenylethanol 6.8
    styrene 1.73
    dioctyl adipate 3.67
    dimethyl sulfate 28.43
    ethyl butyrate 3.46
    methyl lactate 13.12
    butyl lactate 5.7
    diethyl carbonate 3.1
    propanediol butyl ether 8.21
    triethyl orthoformate 3.55
    p-tert-butyltoluene 1.28
    methyl 4-tert-butylbenzoate 9.85
    morpholine 10.89
    tert-butylamine 2.04
    n-dodecanol 0.88
    dimethoxymethane 21.02
    ethylene carbonate 9.6
    cyrene 19.45
    2-ethoxyethyl acetate 7.0
    2-ethylhexyl acetate 2.93
    1,2,4-trichlorobenzene 9.31
    4-methylpyridine 9.61
    dibutyl ether 1.18
    2,6-dimethyl-4-heptanol 1.62
    DEF 14.15
    dimethyl isosorbide 18.72
    tetrachloroethylene 22.33
    eugenol 10.92
    triacetin 7.23
    span 80 7.77
    1,4-butanediol 8.7
    1,1-dichloroethane 8.26
    2-methyl-1-pentanol 4.75
    methyl formate 17.34
    2-methyl-1-butanol 5.76
    n-decane 0.11
    butyronitrile 3.67
    3,7-dimethyl-1-octanol 1.6
    1-chlorooctane 0.66
    1-chlorotetradecane 0.3
    n-nonane 0.1
    undecane 0.09
    tert-butylcyclohexane 0.17
    cyclooctane 0.09
    cyclopentanol 6.24
    tetrahydropyran 4.6
    tert-amyl methyl ether 3.7
    2,5,8-trioxanonane 20.54
    1-hexene 0.85
    2-isopropoxyethanol 10.98
    2,2,2-trifluoroethanol 27.06
    methyl butyrate 5.34

    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