ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[{2-[(2,6-dimethylphenyl)amino]-1-(4-ethylphenyl)-2-oxoethyl}(pentyl)amino]-1-oxo-2-propanyl}carbamate | C31H45N3O4

2-Methyl-2-propanyl {1-[{2-[(2,6-dimethylphenyl)amino]-1-(4-ethylphenyl)-2-oxoethyl}(pentyl)amino]-1-oxo-2-propanyl}carbamate

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID16503993

More details:

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

{1-[{2-[(2,6-Diméthylphényl)amino]-1-(4-éthylphényl)-2-oxoéthyl}(pentyl)amino]-1-oxo-2-propanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {1-[{2-[(2,6-dimethylphenyl)amino]-1-(4-ethylphenyl)-2-oxoethyl}(pentyl)amino]-1-oxo-2-propanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[{2-[(2,6-dimethylphenyl)amino]-1-(4-ethylphenyl)-2-oxoethyl}(pentyl)amino]-1-oxo-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[2-[(2,6-dimethylphenyl)amino]-1-(4-ethylphenyl)-2-oxoethyl]pentylamino]-1-methyl-2-oxoethyl]-, 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: 678.8±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: 1.537
Molar Refractivity: 153.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.11
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 67496.95
ACD/KOC (pH 5.5): 88868.45
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 44904.25
ACD/KOC (pH 7.4): 59122.25
Polar Surface Area: 95 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 36.5±7.0 dyne/cm
Molar Volume: 490.9±7.0 cm3

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