ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[ethyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](4-methylphenyl)acetyl}phenylalaninate | C32H45N3O6

2-Methyl-2-propanyl N-{[ethyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](4-methylphenyl)acetyl}phenylalaninate

  • Molecular FormulaC32H45N3O6
  • Average mass567.716 Da
  • Monoisotopic mass567.330811 Da
  • ChemSpider ID16500200

More details:

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

2-Methyl-2-propanyl N-{[ethyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](4-methylphenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[ethyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](4-methylphenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[Éthyl(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}alanyl)amino]-2-(4-méthylphényl)acétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl]ethylamino]-2-(4-methylphenyl)acetyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 686.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 369.0±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 160.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6386.77
ACD/KOC (pH 5.5): 18065.65
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 3649.05
ACD/KOC (pH 7.4): 10321.72
Polar Surface Area: 121 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 515.0±7.0 cm3

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