ChemSpider 2D Image | 3-{(3S,3aR,6S,7aS)-6-Hydroxy-3-[(2-methoxybenzyl)amino]-1,1,6-trimethyloctahydro-3aH-inden-3a-yl}-N-[2-(4-morpholinyl)ethyl]propanamide | C29H47N3O4

3-{(3S,3aR,6S,7aS)-6-Hydroxy-3-[(2-methoxybenzyl)amino]-1,1,6-trimethyloctahydro-3aH-inden-3a-yl}-N-[2-(4-morpholinyl)ethyl]propanamide

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID21383399

  • 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-3-[(2-methoxybenzyl)amino]-1,1,6-trimethyloctahydro-3aH-inden-3a-yl}-N-[2-(4-morpholinyl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-{(3S,3aR,6S,7aS)-6-Hydroxy-3-[(2-methoxybenzyl)amino]-1,1,6-trimethyloctahydro-3aH-inden-3a-yl}-N-[2-(4-morpholinyl)ethyl]propanamide [ACD/IUPAC Name]
3-{(3S,3aR,6S,7aS)-6-Hydroxy-3-[(2-méthoxybenzyl)amino]-1,1,6-triméthyloctahydro-3aH-indén-3a-yl}-N-[2-(4-morpholinyl)éthyl]propanamide [French] [ACD/IUPAC Name]
3aH-Indene-3a-propanamide, octahydro-6-hydroxy-3-[[(2-methoxyphenyl)methyl]amino]-1,1,6-trimethyl-N-[2-(4-morpholinyl)ethyl]-, (3S,3aR,6S,7aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 658.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 10.88
Polar Surface Area: 83 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 438.0±5.0 cm3

Click to predict properties on the Chemicalize site


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