ChemSpider 2D Image | N-sec-Butyl-N-{1-(3-methylphenyl)-2-[(2-methylphenyl)amino]-2-oxoethyl}-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamide | C31H45N3O4

N-sec-Butyl-N-{1-(3-methylphenyl)-2-[(2-methylphenyl)amino]-2-oxoethyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamide

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID16537800

More details:






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

Carbamic acid, N-[3-methyl-1-[[[1-(3-methylphenyl)-2-[(2-methylphenyl)amino]-2-oxoethyl](1-methylpropyl)amino]carbonyl]butyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-sec-Butyl-N-{1-(3-methylphenyl)-2-[(2-methylphenyl)amino]-2-oxoethyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamid [German] [ACD/IUPAC Name]
N-sec-Butyl-N-{1-(3-methylphenyl)-2-[(2-methylphenyl)amino]-2-oxoethyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamide [ACD/IUPAC Name]
N-sec-Butyl-N-{1-(3-méthylphényl)-2-[(2-méthylphényl)amino]-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

Density: 1.1±0.1 g/cm3
Boiling Point: 661.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.1±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 153.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.82
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 9561.28
ACD/KOC (pH 5.5): 22239.75
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 6397.69
ACD/KOC (pH 7.4): 14881.17
Polar Surface Area: 95 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 35.8±7.0 dyne/cm
Molar Volume: 490.0±7.0 cm3

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