ChemSpider 2D Image | 2-(4-Methyl-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide | C21H29N3O

2-(4-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 ID29769856
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1H-Indole-1-acetamide, 4-methyl-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
2-(4-Methyl-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]acetamid [German] [ACD/IUPAC Name]
2-(4-Methyl-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide [ACD/IUPAC Name]
2-(4-Méthyl-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]acétamide [French] [ACD/IUPAC Name]
C21H29N3O
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-methylindol-1-yl)acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 560.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±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

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