ChemSpider 2D Image | Methyl N-{[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valinate | C23H32N2O3

Methyl N-{[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valinate

  • Molecular FormulaC23H32N2O3
  • Average mass384.512 Da
  • Monoisotopic mass384.241302 Da
  • ChemSpider ID34450863
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Valine, N-[[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl]-3-methyl-, methyl ester [ACD/Index Name]
Methyl N-{[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(Cyclohexylméthyl)-1H-indol-3-yl]carbonyl}-3-méthyl-L-valinate de méthyle [French] [ACD/IUPAC Name]
MDMB-CHMICA [Wiki]
1971007-95-0 [RN]
methyl (S)-2-(1-(cyclohexylmethyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate
N-[[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl]-3-methyl-L-valine, methyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.5±24.6 °C
Index of Refraction: 1.574
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11351.96
ACD/KOC (pH 5.5): 27810.49
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11351.95
ACD/KOC (pH 7.4): 27810.46
Polar Surface Area: 60 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 335.6±7.0 cm3

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