ChemSpider 2D Image | N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(cyclohexylmethyl)-1H-indole-3-carboxamide | C21H29N3O2

N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(cyclohexylmethyl)-1H-indole-3-carboxamide

  • Molecular FormulaC21H29N3O2
  • Average mass355.474 Da
  • Monoisotopic mass355.225983 Da
  • ChemSpider ID68897834
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(cyclohexylmethyl)- [ACD/Index Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(cyclohexylmethyl)-1H-indol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(cyclohexylmethyl)-1H-indole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-1-(cyclohexylméthyl)-1H-indole-3-carboxamide [French] [ACD/IUPAC Name]
(2S)-2-{[1-(CYCLOHEXYLMETHYL)-1H-INDOL-3-YL]FORMAMIDO}-3-METHYLBUTANAMIDE
(2S)-2-{[1-(CYCLOHEXYLMETHYL)INDOL-3-YL]FORMAMIDO}-3-METHYLBUTANAMIDE
2219330-90-0 [RN]
AB-Chiminaca
AB-CHMICA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 630.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.8±25.9 °C
Index of Refraction: 1.620
Molar Refractivity: 101.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 643.67
ACD/KOC (pH 5.5): 3564.86
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 643.67
ACD/KOC (pH 7.4): 3564.85
Polar Surface Area: 77 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 290.1±7.0 cm3

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