ChemSpider 2D Image | N-(2-Hydroxyethyl)-2-[(2R)-2-hydroxy-4-{2-[(2-hydroxyethyl)(2-methyl-2-propanyl)carbamoyl]phenyl}butyl]-N-[(3aS,7aS)-octahydro-3aH-inden-3a-yl]benzamide | C35H50N2O5

N-(2-Hydroxyethyl)-2-[(2R)-2-hydroxy-4-{2-[(2-hydroxyethyl)(2-methyl-2-propanyl)carbamoyl]phenyl}butyl]-N-[(3aS,7aS)-octahydro-3aH-inden-3a-yl]benzamide

  • Molecular FormulaC35H50N2O5
  • Average mass578.782 Da
  • Monoisotopic mass578.371948 Da
  • ChemSpider ID62399084

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, 2-[(2R)-4-[2-[[(1,1-dimethylethyl)(2-hydroxyethyl)amino]carbonyl]phenyl]-2-hydroxybutyl]-N-(2-hydroxyethyl)-N-[(3aS,7aS)-octahydro-3aH-inden-3a-yl]- [ACD/Index Name]
N-(2-Hydroxyethyl)-2-[(2R)-2-hydroxy-4-{2-[(2-hydroxyethyl)(2-methyl-2-propanyl)carbamoyl]phenyl}butyl]-N-[(3aS,7aS)-octahydro-3aH-inden-3a-yl]benzamid [German] [ACD/IUPAC Name]
N-(2-Hydroxyethyl)-2-[(2R)-2-hydroxy-4-{2-[(2-hydroxyethyl)(2-methyl-2-propanyl)carbamoyl]phenyl}butyl]-N-[(3aS,7aS)-octahydro-3aH-inden-3a-yl]benzamide [ACD/IUPAC Name]
N-(2-Hydroxyéthyl)-2-[(2R)-2-hydroxy-4-{2-[(2-hydroxyéthyl)(2-méthyl-2-propanyl)carbamoyl]phényl}butyl]-N-[(3aS,7aS)-octahydro-3aH-indén-3a-yl]benzamide [French] [ACD/IUPAC 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: 779.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.2±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 166.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 434.99
ACD/KOC (pH 5.5): 2692.93
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 434.99
ACD/KOC (pH 7.4): 2692.93
Polar Surface Area: 101 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 484.8±5.0 cm3

Click to predict properties on the Chemicalize site


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