ChemSpider 2D Image | N-Benzyl-5-[(3,3-dimethylbutanoyl)amino]-1-[4-(2-methyl-2-propanyl)benzyl]-1H-indole-2-carboxamide | C33H39N3O2

N-Benzyl-5-[(3,3-dimethylbutanoyl)amino]-1-[4-(2-methyl-2-propanyl)benzyl]-1H-indole-2-carboxamide

  • Molecular FormulaC33H39N3O2
  • Average mass509.682 Da
  • Monoisotopic mass509.304230 Da
  • ChemSpider ID29243123

More details:

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

1H-Indole-2-carboxamide, 1-[[4-(1,1-dimethylethyl)phenyl]methyl]-5-[(3,3-dimethyl-1-oxobutyl)amino]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-5-[(3,3-dimethylbutanoyl)amino]-1-[4-(2-methyl-2-propanyl)benzyl]-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-Benzyl-5-[(3,3-dimethylbutanoyl)amino]-1-[4-(2-methyl-2-propanyl)benzyl]-1H-indole-2-carboxamide [ACD/IUPAC Name]
N-Benzyl-5-[(3,3-diméthylbutanoyl)amino]-1-[4-(2-méthyl-2-propanyl)benzyl]-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 762.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.2±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 156.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89143.55
ACD/KOC (pH 5.5): 121577.09
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 89145.22
ACD/KOC (pH 7.4): 121579.36
Polar Surface Area: 63 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 469.3±7.0 cm3

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