ChemSpider 2D Image | N-[(2R,4R,4aS,7R,8aR)-2-(2,3-Dimethoxyphenyl)-4,7-dimethyloctahydro-2H-chromen-4-yl]-3-methoxypropanamide | C23H35NO5

N-[(2R,4R,4aS,7R,8aR)-2-(2,3-Dimethoxyphenyl)-4,7-dimethyloctahydro-2H-chromen-4-yl]-3-methoxypropanamide

  • Molecular FormulaC23H35NO5
  • Average mass405.528 Da
  • Monoisotopic mass405.251526 Da
  • ChemSpider ID60578543

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(2R,4R,4aS,7R,8aR)-2-(2,3-Dimethoxyphenyl)-4,7-dimethyloctahydro-2H-chromen-4-yl]-3-methoxypropanamid [German] [ACD/IUPAC Name]
N-[(2R,4R,4aS,7R,8aR)-2-(2,3-Dimethoxyphenyl)-4,7-dimethyloctahydro-2H-chromen-4-yl]-3-methoxypropanamide [ACD/IUPAC Name]
N-[(2R,4R,4aS,7R,8aR)-2-(2,3-Diméthoxyphényl)-4,7-diméthyloctahydro-2H-chromén-4-yl]-3-méthoxypropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(2R,4R,4aS,7R,8aR)-2-(2,3-dimethoxyphenyl)octahydro-4,7-dimethyl-2H-1-benzopyran-4-yl]-3-methoxy- [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: 550.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.4±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.84
ACD/KOC (pH 5.5): 1425.37
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 178.84
ACD/KOC (pH 7.4): 1425.37
Polar Surface Area: 66 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 361.0±5.0 cm3

Click to predict properties on the Chemicalize site


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