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

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

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID16537799

More details:






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

Carbamic acid, N-[3-methyl-1-[[[1-(3-methylphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl](1-methylpropyl)amino]carbonyl]butyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[2-(Benzylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-sec-butyl-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamid [German] [ACD/IUPAC Name]
N-[2-(Benzylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-sec-butyl-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamide [ACD/IUPAC Name]
N-[2-(Benzylamino)-1-(3-méthylphényl)-2-oxoéthyl]-N-sec-butyl-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: 654.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.4±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 153.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.51
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1098.04
ACD/KOC (pH 5.5): 2587.12
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 972.38
ACD/KOC (pH 7.4): 2291.04
Polar Surface Area: 95 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 36.5±7.0 dyne/cm
Molar Volume: 490.9±7.0 cm3

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