ChemSpider 2D Image | MDMB-CHMICA metabolite M2 | C22H30N2O3

MDMB-CHMICA metabolite M2

  • Molecular FormulaC22H30N2O3
  • Average mass370.485 Da
  • Monoisotopic mass370.225647 Da
  • ChemSpider ID76714554
  • 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- [ACD/Index Name]
MDMB-CHMICA metabolite M2
N-{[1-(Cyclohexylmethyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valin [German] [ACD/IUPAC Name]
N-{[1-(Cyclohexylmethyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valine [ACD/IUPAC Name]
N-{[1-(Cyclohexylméthyl)-1H-indol-3-yl]carbonyl}-3-méthyl-L-valine [French] [ACD/IUPAC Name]
(S)-2-(1-(cyclohexylmethyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 614.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.5±25.9 °C
Index of Refraction: 1.596
Molar Refractivity: 105.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 24.43
ACD/KOC (pH 5.5): 89.38
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.91
Polar Surface Area: 71 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 311.2±7.0 cm3

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