ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[{2-[(2,6-dimethylphenyl)amino]-2-oxo-1-phenylethyl}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate | C29H41N3O4S

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

  • Molecular FormulaC29H41N3O4S
  • Average mass527.719 Da
  • Monoisotopic mass527.281799 Da
  • ChemSpider ID16518948

More details:






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

{1-[{2-[(2,6-Diméthylphényl)amino]-2-oxo-1-phényléthyl}(propyl)amino]-4-(méthylsulfanyl)-1-oxo-2-butanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {1-[{2-[(2,6-dimethylphenyl)amino]-2-oxo-1-phenylethyl}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[{2-[(2,6-dimethylphenyl)amino]-2-oxo-1-phenylethyl}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-[(2,6-dimethylphenyl)amino]-2-oxo-1-phenylethyl]propylamino]carbonyl]-3-(methylthio)propyl]-, 1,1-dimethylethyl 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: 696.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.3±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 152.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3525.50
ACD/KOC (pH 5.5): 10894.10
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2092.17
ACD/KOC (pH 7.4): 6464.99
Polar Surface Area: 120 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 474.1±7.0 cm3

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