ChemSpider 2D Image | 3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(2-pyridinylmethyl)amino]octahydro-3aH-inden-3a-yl}-N-[2-(1H-indol-3-yl)ethyl]propanamide | C31H42N4O2

3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(2-pyridinylmethyl)amino]octahydro-3aH-inden-3a-yl}-N-[2-(1H-indol-3-yl)ethyl]propanamide

  • Molecular FormulaC31H42N4O2
  • Average mass502.691 Da
  • Monoisotopic mass502.330780 Da
  • ChemSpider ID21383416

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(2-pyridinylmethyl)amino]octahydro-3aH-inden-3a-yl}-N-[2-(1H-indol-3-yl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(2-pyridinylmethyl)amino]octahydro-3aH-inden-3a-yl}-N-[2-(1H-indol-3-yl)ethyl]propanamide [ACD/IUPAC Name]
3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-triméthyl-3-[(2-pyridinylméthyl)amino]octahydro-3aH-indén-3a-yl}-N-[2-(1H-indol-3-yl)éthyl]propanamide [French] [ACD/IUPAC Name]
3aH-Indene-3a-propanamide, octahydro-6-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-1,1,6-trimethyl-3-[(2-pyridinylmethyl)amino]-, (3S,3aR,6S,7aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.6±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 24.54
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 238.04
ACD/KOC (pH 7.4): 1217.57
Polar Surface Area: 90 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 422.4±5.0 cm3

Click to predict properties on the Chemicalize site


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