ChemSpider 2D Image | 2-(5-Methyl-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide | C21H29N3O

2-(5-Methyl-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide

  • Molecular FormulaC21H29N3O
  • Average mass339.474 Da
  • Monoisotopic mass339.231049 Da
  • ChemSpider ID29769562

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-1-acetamide, 5-methyl-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
2-(5-Methyl-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]acetamid [German] [ACD/IUPAC Name]
2-(5-Methyl-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide [ACD/IUPAC Name]
2-(5-Méthyl-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]acétamide [French] [ACD/IUPAC Name]
1441909-00-7 [RN]
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(5-methylindol-1-yl)acetamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 561.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±3.0 kJ/mol
    Flash Point: 293.6±24.6 °C
    Index of Refraction: 1.641
    Molar Refractivity: 100.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.66
    ACD/LogD (pH 5.5): 0.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.04
    ACD/LogD (pH 7.4): 1.16
    ACD/BCF (pH 7.4): 1.08
    ACD/KOC (pH 7.4): 6.93
    Polar Surface Area: 37 Å2
    Polarizability: 39.9±0.5 10-24cm3
    Surface Tension: 47.3±7.0 dyne/cm
    Molar Volume: 279.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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