ChemSpider 2D Image | N~2~-{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-cyclohexyl-L-leucinamide | C24H33N3O5

N2-{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-cyclohexyl-L-leucinamide

  • Molecular FormulaC24H33N3O5
  • Average mass443.536 Da
  • Monoisotopic mass443.242035 Da
  • ChemSpider ID22873378

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Pyrrolidinecarboxamide, 1-(1,3-benzodioxol-5-yl)-N-[(1S)-1-[(cyclohexylamino)carbonyl]-3-methylbutyl]-5-oxo- [ACD/Index Name]
N2-{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-cyclohexyl-L-leucinamid [German] [ACD/IUPAC Name]
N2-{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-cyclohexyl-L-leucinamide [ACD/IUPAC Name]
N2-{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-cyclohexyl-L-leucinamide [French] [ACD/IUPAC Name]
1-(1,3-benzodioxol-5-yl)-N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-3-carboxamide
1014002-63-1 [RN]
N2-{[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]carbonyl}-N-cyclohexyl-L-leucinamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 775.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 112.9±3.0 kJ/mol
    Flash Point: 423.0±32.9 °C
    Index of Refraction: 1.588
    Molar Refractivity: 118.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.15
    ACD/LogD (pH 5.5): 2.43
    ACD/BCF (pH 5.5): 41.42
    ACD/KOC (pH 5.5): 500.28
    ACD/LogD (pH 7.4): 2.43
    ACD/BCF (pH 7.4): 41.42
    ACD/KOC (pH 7.4): 500.27
    Polar Surface Area: 97 Å2
    Polarizability: 47.1±0.5 10-24cm3
    Surface Tension: 55.3±5.0 dyne/cm
    Molar Volume: 353.4±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement