ChemSpider 2D Image | MFCD30718315 | C22H30N2O3

MFCD30718315

  • Molecular FormulaC22H30N2O3
  • Average mass370.485 Da
  • Monoisotopic mass370.225647 Da
  • ChemSpider ID68896113

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1971007-94-9 [RN]
L-Valine, N-[[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
MFCD30718315
N-[[1-(Cyclohexylmethyl)-1H-indol-3-yl]carbonyl]-L-valine methyl ester
N-{[1-(Cyclohexylméthyl)-1H-indol-3-yl]carbonyl}-L-valinate de méthyle [French] [ACD/IUPAC Name]
METHYL (2S)-2-{[1-(CYCLOHEXYLMETHYL)-1H-INDOL-3-YL]FORMAMIDO}-3-METHYLBUTANOATE
METHYL (2S)-2-{[1-(CYCLOHEXYLMETHYL)INDOL-3-YL]FORMAMIDO}-3-METHYLBUTANOATE
MMB-CHMICA
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 572.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.2±24.6 °C
Index of Refraction: 1.587
Molar Refractivity: 105.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3635.16
ACD/KOC (pH 5.5): 12308.83
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3635.15
ACD/KOC (pH 7.4): 12308.80
Polar Surface Area: 60 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 315.0±7.0 cm3

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