ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[1-(2,6-dimethylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C30H51N3O4S

2-Methyl-2-propanyl [1-{[1-(2,6-dimethylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC30H51N3O4S
  • Average mass549.809 Da
  • Monoisotopic mass549.360046 Da
  • ChemSpider ID16521176

More details:

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

[1-{[1-(2,6-Diméthylphényl)-2-oxo-2-(2-pentanylamino)éthyl](pentyl)amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-{[1-(2,6-dimethylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[1-(2,6-dimethylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(2,6-dimethylphenyl)-2-[(1-methylbutyl)amino]-2-oxoethyl]pentylamino]carbonyl]-3-(methylthio)propyl]-, 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: 679.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.4±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 158.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 18139.35
ACD/KOC (pH 5.5): 21171.93
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 14994.60
ACD/KOC (pH 7.4): 17501.43
Polar Surface Area: 120 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 35.8±7.0 dyne/cm
Molar Volume: 516.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement