ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[1-(3,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C30H51N3O4S

2-Methyl-2-propanyl [1-{[1-(3,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC30H51N3O4S
  • Average mass549.809 Da
  • Monoisotopic mass549.360046 Da
  • ChemSpider ID16521162

More details:

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

[1-{[1-(3,4-Diméthylphényl)-2-oxo-2-(pentylamino)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-(3,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[1-(3,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl]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: 683.1±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: 366.9±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 9.55
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 140975.98
ACD/KOC (pH 5.5): 100998.05
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 117493.41
ACD/KOC (pH 7.4): 84174.66
Polar Surface Area: 120 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 36.4±7.0 dyne/cm
Molar Volume: 517.8±7.0 cm3

Click to predict properties on the Chemicalize site


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