ChemSpider 2D Image | Ethyl N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}-beta-alaninate | C28H43N3O7

Ethyl N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}-β-alaninate

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID16531476

More details:

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

Ethyl N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-(4-Hydroxy-3-méthylphényl)-2-[(2-méthylcyclopropyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}valyl)amino]acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-1-oxobutyl](2-methylcyclopropyl)amino]-2-(4-hydroxy-3-methylphenyl)acetyl]-, ethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 682.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.8±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 83.13
ACD/KOC (pH 5.5): 473.95
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 69.02
ACD/KOC (pH 7.4): 393.51
Polar Surface Area: 141 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 443.7±7.0 cm3

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