ChemSpider 2D Image | Ethyl N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}leucyl)amino](2-methylphenyl)acetyl}-beta-alaninate | C29H47N3O6

Ethyl N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}leucyl)amino](2-methylphenyl)acetyl}-β-alaninate

  • Molecular FormulaC29H47N3O6
  • Average mass533.700 Da
  • Monoisotopic mass533.346497 Da
  • ChemSpider ID16537791

More details:






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

Ethyl N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}leucyl)amino](2-methylphenyl)acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[sec-butyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}leucyl)amino](2-methylphenyl)acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-[sec-Butyl(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}leucyl)amino]-2-(2-méthylphényl)acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-1-oxopentyl](1-methylpropyl)amino]-2-(2-methylphenyl)acetyl]-, ethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 652.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 348.4±34.3 °C
Index of Refraction: 1.519
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 928.54
ACD/KOC (pH 5.5): 2967.26
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 810.10
ACD/KOC (pH 7.4): 2588.75
Polar Surface Area: 121 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 36.1±7.0 dyne/cm
Molar Volume: 490.1±7.0 cm3

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