ChemSpider 2D Image | 2-Methyl-2-propanyl N-{2-[4-({[(2S)-1-hydroxy-1,1-diphenyl-2-propanyl]carbamoyl}amino)cyclohexyl]ethyl}-N-methylglycinate | C31H45N3O4

2-Methyl-2-propanyl N-{2-[4-({[(2S)-1-hydroxy-1,1-diphenyl-2-propanyl]carbamoyl}amino)cyclohexyl]ethyl}-N-methylglycinate

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID9780872

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2-Methyl-2-propanyl N-{2-[4-({[(2S)-1-hydroxy-1,1-diphenyl-2-propanyl]carbamoyl}amino)cyclohexyl]ethyl}-N-methylglycinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{2-[4-({[(2S)-1-hydroxy-1,1-diphenyl-2-propanyl]carbamoyl}amino)cyclohexyl]ethyl}-N-methylglycinat [German] [ACD/IUPAC Name]
Glycine, N-[2-[4-[[[[(1S)-2-hydroxy-1-methyl-2,2-diphenylethyl]amino]carbonyl]amino]cyclohexyl]ethyl]-N-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
N-{2-[4-({[(2S)-1-Hydroxy-1,1-diphényl-2-propanyl]carbamoyl}amino)cyclohexyl]éthyl}-N-méthylglycinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC 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: 689.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.0±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 221.25
ACD/KOC (pH 5.5): 558.70
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 6422.07
ACD/KOC (pH 7.4): 16217.03
Polar Surface Area: 91 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 461.0±5.0 cm3

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