ChemSpider 2D Image | N-(3-{[(3-Aminocyclohexyl)carbamoyl]amino}cyclohexyl)-N-benzyl-4-(1H-indol-3-yl)butanamide | C32H43N5O2

N-(3-{[(3-Aminocyclohexyl)carbamoyl]amino}cyclohexyl)-N-benzyl-4-(1H-indol-3-yl)butanamide

  • Molecular FormulaC32H43N5O2
  • Average mass529.716 Da
  • Monoisotopic mass529.341675 Da
  • ChemSpider ID23297624

More details:

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

1H-Indole-3-butanamide, N-[3-[[[(3-aminocyclohexyl)amino]carbonyl]amino]cyclohexyl]-N-(phenylmethyl)- [ACD/Index Name]
N-(3-{[(3-Aminocyclohexyl)carbamoyl]amino}cyclohexyl)-N-benzyl-4-(1H-indol-3-yl)butanamid [German] [ACD/IUPAC Name]
N-(3-{[(3-Aminocyclohexyl)carbamoyl]amino}cyclohexyl)-N-benzyl-4-(1H-indol-3-yl)butanamide [ACD/IUPAC Name]
N-(3-{[(3-Aminocyclohexyl)carbamoyl]amino}cyclohexyl)-N-benzyl-4-(1H-indol-3-yl)butanamide [French] [ACD/IUPAC Name]
1-(3-aminocyclohexyl)-3-(3-(N-benzyl-4-(1H-indol-3-yl)butanamido)cyclohexyl)urea
CHEMBL235162

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 799.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.3±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 157.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.32
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 9.72
Polar Surface Area: 103 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 438.7±5.0 cm3

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