ChemSpider 2D Image | N-sec-Butyl-N-[1-(3-methylphenyl)-2-oxo-2-(2-pentanylamino)ethyl]-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamide | C29H49N3O4

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

  • Molecular FormulaC29H49N3O4
  • Average mass503.717 Da
  • Monoisotopic mass503.372314 Da
  • ChemSpider ID16537796

More details:






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

Carbamic acid, N-[3-methyl-1-[[[2-[(1-methylbutyl)amino]-1-(3-methylphenyl)-2-oxoethyl](1-methylpropyl)amino]carbonyl]butyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-sec-Butyl-N-[1-(3-methylphenyl)-2-oxo-2-(2-pentanylamino)ethyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamid [German] [ACD/IUPAC Name]
N-sec-Butyl-N-[1-(3-methylphenyl)-2-oxo-2-(2-pentanylamino)ethyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}leucinamide [ACD/IUPAC Name]
N-sec-Butyl-N-[1-(3-méthylphényl)-2-oxo-2-(2-pentanylamino)éthyl]-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: 1.0±0.1 g/cm3
Boiling Point: 620.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.1±34.3 °C
Index of Refraction: 1.515
Molar Refractivity: 146.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 2309.83
ACD/KOC (pH 5.5): 4924.58
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 2044.17
ACD/KOC (pH 7.4): 4358.20
Polar Surface Area: 95 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 33.6±7.0 dyne/cm
Molar Volume: 485.6±7.0 cm3

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