ChemSpider 2D Image | N~2~-{[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-(2-methoxyethyl)-L-valinamide | C21H29N3O6

N2-{[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-(2-methoxyethyl)-L-valinamide

  • Molecular FormulaC21H29N3O6
  • Average mass419.471 Da
  • Monoisotopic mass419.205627 Da
  • ChemSpider ID22873425

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyrrolidinecarboxamide, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-[[(2-methoxyethyl)amino]carbonyl]-2-methylpropyl]-5-oxo- [ACD/Index Name]
N2-{[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-(2-methoxyethyl)-L-valinamid [German] [ACD/IUPAC Name]
N2-{[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-(2-methoxyethyl)-L-valinamide [ACD/IUPAC Name]
N2-{[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-(2-méthoxyéthyl)-L-valinamide [French] [ACD/IUPAC Name]
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-{[(2-methoxyethyl)amino]carbonyl}-2-methylpropyl)-5-oxo-3-pyrrolidinecarboxamide
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-5-oxopyrrolidine-3-carboxamide
1212480-17-5 [RN]
AXJDHMBKILOISI-PKDNWHCCSA-N
N2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbonyl}-N-(2-methoxyethyl)-L-valinamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 766.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.6±3.0 kJ/mol
    Flash Point: 417.1±32.9 °C
    Index of Refraction: 1.551
    Molar Refractivity: 107.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.42
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 2.12
    ACD/KOC (pH 5.5): 59.55
    ACD/LogD (pH 7.4): 0.73
    ACD/BCF (pH 7.4): 2.12
    ACD/KOC (pH 7.4): 59.55
    Polar Surface Area: 106 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 338.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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