ChemSpider 2D Image | N-sec-Butyl-N-{2-[(2-chloro-6-methylphenyl)amino]-1-(2-methylphenyl)-2-oxoethyl}-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamide | C31H44ClN3O4

N-sec-Butyl-N-{2-[(2-chloro-6-methylphenyl)amino]-1-(2-methylphenyl)-2-oxoethyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamide

  • Molecular FormulaC31H44ClN3O4
  • Average mass558.152 Da
  • Monoisotopic mass557.302063 Da
  • ChemSpider ID16537787

More details:

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

Carbamic acid, N-[1-[[[2-[(2-chloro-6-methylphenyl)amino]-1-(2-methylphenyl)-2-oxoethyl](1-methylpropyl)amino]carbonyl]-3-methylbutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-sec-Butyl-N-{2-[(2-chlor-6-methylphenyl)amino]-1-(2-methylphenyl)-2-oxoethyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamid [German] [ACD/IUPAC Name]
N-sec-Butyl-N-{2-[(2-chloro-6-methylphenyl)amino]-1-(2-methylphenyl)-2-oxoethyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamide [ACD/IUPAC Name]
N-sec-Butyl-N-{2-[(2-chloro-6-méthylphényl)amino]-1-(2-méthylphényl)-2-oxoéthyl}-N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}leucinamide [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: 689.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.0±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 37117.82
ACD/KOC (pH 5.5): 61776.73
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 6149.33
ACD/KOC (pH 7.4): 10234.58
Polar Surface Area: 95 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 36.6±7.0 dyne/cm
Molar Volume: 499.2±7.0 cm3

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