ChemSpider 2D Image | N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(3,4-Dimethoxybenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-2-pyridinecarboxamide | C30H41N3O5

N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(3,4-Dimethoxybenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-2-pyridinecarboxamide

  • Molecular FormulaC30H41N3O5
  • Average mass523.664 Da
  • Monoisotopic mass523.304626 Da
  • ChemSpider ID22806086
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

2-Pyridinecarboxamide, N-[(1S,2S,8S,8aS)-7-[(1S)-2-[[(3,4-dimethoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]decahydro-8-hydroxy-1,4a-dimethyl-2-naphthalenyl]- [ACD/Index Name]
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(3,4-Diméthoxybenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-diméthyldécahydro-2-naphtalényl]-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(3,4-Dimethoxybenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-2-pyridinecarboxamide [ACD/IUPAC Name]
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(3,4-Dimethoxybenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalinyl]-2-pyridincarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 760.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 413.6±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.66
ACD/KOC (pH 5.5): 943.80
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.96
ACD/KOC (pH 7.4): 946.63
Polar Surface Area: 110 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 435.3±5.0 cm3

Click to predict properties on the Chemicalize site






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