ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{[1-(2,3-dimethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](isopropyl)amino}-3-hydroxy-1-oxo-2-propanyl)carbamate | C31H39N3O5

2-Methyl-2-propanyl (1-{[1-(2,3-dimethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](isopropyl)amino}-3-hydroxy-1-oxo-2-propanyl)carbamate

  • Molecular FormulaC31H39N3O5
  • Average mass533.659 Da
  • Monoisotopic mass533.289001 Da
  • ChemSpider ID16525141

More details:

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

(1-{[1-(2,3-Diméthylphényl)-2-(2-naphtylamino)-2-oxoéthyl](isopropyl)amino}-3-hydroxy-1-oxo-2-propanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{[1-(2,3-dimethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](isopropyl)amino}-3-hydroxy-1-oxo-2-propanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{[1-(2,3-dimethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](isopropyl)amino}-3-hydroxy-1-oxo-2-propanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[1-(2,3-dimethylphenyl)-2-(2-naphthalenylamino)-2-oxoethyl](1-methylethyl)amino]-1-(hydroxymethyl)-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: 1.2±0.1 g/cm3
Boiling Point: 724.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.2±35.7 °C
Index of Refraction: 1.574
Molar Refractivity: 151.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2139.47
ACD/KOC (pH 5.5): 7349.38
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1276.42
ACD/KOC (pH 7.4): 4384.70
Polar Surface Area: 115 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 460.4±7.0 cm3

Click to predict properties on the Chemicalize site


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