ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{[2-(benzylamino)-1-(4-ethynylphenyl)-2-oxoethyl](pentyl)amino}-1-oxo-2-propanyl)carbamate | C30H39N3O4

2-Methyl-2-propanyl (1-{[2-(benzylamino)-1-(4-ethynylphenyl)-2-oxoethyl](pentyl)amino}-1-oxo-2-propanyl)carbamate

  • Molecular FormulaC30H39N3O4
  • Average mass505.648 Da
  • Monoisotopic mass505.294067 Da
  • ChemSpider ID16503944

More details:

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

(1-{[2-(Benzylamino)-1-(4-éthynylphényl)-2-oxoéthyl](pentyl)amino}-1-oxo-2-propanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{[2-(benzylamino)-1-(4-ethynylphenyl)-2-oxoethyl](pentyl)amino}-1-oxo-2-propanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{[2-(benzylamino)-1-(4-ethinylphenyl)-2-oxoethyl](pentyl)amino}-1-oxo-2-propanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[1-(4-ethynylphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]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: 655.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.5±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 149.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 1233.31
ACD/KOC (pH 5.5): 3005.68
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1089.16
ACD/KOC (pH 7.4): 2654.36
Polar Surface Area: 95 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 476.6±7.0 cm3

Click to predict properties on the Chemicalize site


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