3-(4-Chlorophenyl)-N-(3,4-dimethoxyphenethyl)propanamide

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  • Identifiers

    CAS number
    1676-39-7

    Molecular formula
    C19H22ClNO3

    SMILES
    COC1=C(C=C(C=C1)CCNC(=O)CCC2=CC=C(C=C2)Cl)OC

    Safety labels

  • Odor profile

    Fragrance
    Savory 40.61%
    Meaty 38.3%
    Odorless 31.07%
    Animal 28.26%
    Cooling 27.81%
    Cooked 25.15%
    Spicy 24.83%
    Roasted 24.72%
    Grape 24.64%
    Burnt 22.52%

     

    Flavor
    Fruity 37.93%
    Mild 35.46%
    Odorless 34.96%
    Bitter 34.0%
    Sweet 28.36%
    Floral 24.44%
    Bland 22.56%
    Orange blossom 21.3%
    Grape 21.27%
    Petitgrain 21.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.68 (neutral)

    Molecular weight
    347.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    560°C

    Flash point

    • 184.69 ˚C est.

  • Synonyms

    • 1676-39-7
    • 3-(4-Chlorophenyl)-N-(3,4-dimethoxyphenethyl)propanamide
    • 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
    • Benzenepropanamide, 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-
    • 75U9VDL2KU
    • 4-Chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenepropanamide
    • CK2568
    • AKOS003020808
    • Hydrocinnamamide, p-chloro-N-(3,4-dimethoxyphenethyl)-
    • 1676-39-7

  • Applications

    3-(4-Chlorophenyl)-N-(3,4-dimethoxyphenethyl)propanamide (CAS 1676-39-7) is an arylamide compound commonly encountered as an intermediate in organic synthesis and medicinal chemistry. It is frequently used as a building block for structure-activity relationship (SAR) studies and for preparing candidate molecules with potential biological activity. The scaffold may also be explored in agrochemical research as a starting point for new lead compounds. In addition, it can serve as a reference material or analytical intermediate in laboratory workflows, and may be evaluated for fragrance chemistry as an odor-related intermediate, depending on formulation goals and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.01
    methanol 26.7
    isopropanol 13.44
    water 0.09
    ethyl acetate 26.15
    n-propanol 20.31
    acetone 52.25
    n-butanol 16.3
    acetonitrile 16.31
    DMF 72.59
    toluene 10.8
    isobutanol 12.34
    1,4-dioxane 82.67
    methyl acetate 26.26
    THF 190.73
    2-butanone 35.75
    n-pentanol 20.63
    sec-butanol 13.57
    n-hexane 0.31
    ethylene glycol 7.41
    NMP 43.63
    cyclohexane 1.22
    DMSO 178.2
    n-butyl acetate 12.66
    n-octanol 9.27
    chloroform 155.97
    n-propyl acetate 18.93
    acetic acid 50.01
    dichloromethane 186.97
    cyclohexanone 77.31
    propylene glycol 13.19
    isopropyl acetate 15.09
    DMAc 161.58
    2-ethoxyethanol 68.86
    isopentanol 12.88
    n-heptane 0.77
    ethyl formate 22.39
    1,2-dichloroethane 82.55
    n-hexanol 10.78
    2-methoxyethanol 71.45
    isobutyl acetate 13.77
    tetrachloromethane 7.84
    n-pentyl acetate 15.16
    transcutol 111.8
    n-heptanol 10.95
    ethylbenzene 6.03
    MIBK 17.03
    2-propoxyethanol 42.66
    tert-butanol 16.6
    MTBE 12.46
    2-butoxyethanol 31.38
    propionic acid 19.77
    o-xylene 7.03
    formic acid 26.41
    diethyl ether 11.14
    m-xylene 5.87
    p-xylene 8.17
    chlorobenzene 19.77
    dimethyl carbonate 20.89
    n-octane 0.65
    formamide 46.73
    cyclopentanone 89.52
    2-pentanone 26.27
    anisole 21.65
    cyclopentyl methyl ether 26.7
    gamma-butyrolactone 82.14
    1-methoxy-2-propanol 44.79
    pyridine 55.23
    3-pentanone 21.4
    furfural 81.46
    n-dodecane 0.71
    diethylene glycol 37.92
    diisopropyl ether 3.01
    tert-amyl alcohol 13.26
    acetylacetone 50.27
    n-hexadecane 0.83
    acetophenone 28.93
    methyl propionate 24.19
    isopentyl acetate 14.66
    trichloroethylene 164.37
    n-nonanol 10.26
    cyclohexanol 19.79
    benzyl alcohol 26.08
    2-ethylhexanol 7.85
    isooctanol 10.06
    dipropyl ether 10.71
    1,2-dichlorobenzene 22.42
    ethyl lactate 16.87
    propylene carbonate 35.19
    n-methylformamide 31.07
    2-pentanol 7.93
    n-pentane 0.24
    1-propoxy-2-propanol 25.78
    1-methoxy-2-propyl acetate 25.76
    2-(2-methoxypropoxy) propanol 31.2
    mesitylene 3.56
    ε-caprolactone 50.12
    p-cymene 4.76
    epichlorohydrin 134.93
    1,1,1-trichloroethane 37.8
    2-aminoethanol 16.32
    morpholine-4-carbaldehyde 75.75
    sulfolane 102.97
    2,2,4-trimethylpentane 0.51
    2-methyltetrahydrofuran 42.97
    n-hexyl acetate 17.08
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 41.54
    sec-butyl acetate 12.05
    tert-butyl acetate 18.71
    decalin 0.93
    glycerin 23.05
    diglyme 94.01
    acrylic acid 23.21
    isopropyl myristate 8.15
    n-butyric acid 27.61
    acetyl acetate 23.2
    di(2-ethylhexyl) phthalate 12.15
    ethyl propionate 16.16
    nitromethane 92.5
    1,2-diethoxyethane 32.45
    benzonitrile 21.81
    trioctyl phosphate 7.85
    1-bromopropane 17.21
    gamma-valerolactone 119.19
    n-decanol 7.58
    triethyl phosphate 14.48
    4-methyl-2-pentanol 5.58
    propionitrile 15.65
    vinylene carbonate 37.12
    1,1,2-trichlorotrifluoroethane 86.13
    DMS 21.35
    cumene 4.57
    2-octanol 6.94
    2-hexanone 23.74
    octyl acetate 10.44
    limonene 6.55
    1,2-dimethoxyethane 91.36
    ethyl orthosilicate 13.88
    tributyl phosphate 9.24
    diacetone alcohol 27.28
    N,N-dimethylaniline 16.2
    acrylonitrile 24.27
    aniline 20.6
    1,3-propanediol 26.71
    bromobenzene 19.28
    dibromomethane 74.83
    1,1,2,2-tetrachloroethane 113.83
    2-methyl-cyclohexyl acetate 18.24
    tetrabutyl urea 15.27
    diisobutyl methanol 5.66
    2-phenylethanol 18.77
    styrene 7.77
    dioctyl adipate 17.14
    dimethyl sulfate 40.78
    ethyl butyrate 15.94
    methyl lactate 21.49
    butyl lactate 17.12
    diethyl carbonate 13.41
    propanediol butyl ether 23.64
    triethyl orthoformate 16.86
    p-tert-butyltoluene 4.33
    methyl 4-tert-butylbenzoate 28.57
    morpholine 91.74
    tert-butylamine 6.34
    n-dodecanol 5.67
    dimethoxymethane 70.64
    ethylene carbonate 29.97
    cyrene 44.24
    2-ethoxyethyl acetate 31.46
    2-ethylhexyl acetate 11.53
    1,2,4-trichlorobenzene 27.72
    4-methylpyridine 35.59
    dibutyl ether 11.12
    2,6-dimethyl-4-heptanol 5.66
    DEF 35.81
    dimethyl isosorbide 55.69
    tetrachloroethylene 66.21
    eugenol 31.47
    triacetin 31.39
    span 80 23.65
    1,4-butanediol 17.92
    1,1-dichloroethane 44.11
    2-methyl-1-pentanol 15.73
    methyl formate 28.45
    2-methyl-1-butanol 12.96
    n-decane 1.25
    butyronitrile 16.86
    3,7-dimethyl-1-octanol 8.34
    1-chlorooctane 5.81
    1-chlorotetradecane 2.51
    n-nonane 0.96
    undecane 0.91
    tert-butylcyclohexane 0.77
    cyclooctane 0.41
    cyclopentanol 22.13
    tetrahydropyran 54.26
    tert-amyl methyl ether 11.63
    2,5,8-trioxanonane 65.44
    1-hexene 2.44
    2-isopropoxyethanol 38.95
    2,2,2-trifluoroethanol 24.6
    methyl butyrate 23.66

    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