ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](2-methylcyclopropyl)amino}-3-methyl-1-oxo-2-butanyl)carbamate | C29H45N3O5

2-Methyl-2-propanyl (1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](2-methylcyclopropyl)amino}-3-methyl-1-oxo-2-butanyl)carbamate

  • Molecular FormulaC29H45N3O5
  • Average mass515.685 Da
  • Monoisotopic mass515.335938 Da
  • ChemSpider ID16531468

More details:

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

(1-{[2-(Cyclohexylamino)-1-(4-hydroxy-3-méthylphényl)-2-oxoéthyl](2-méthylcyclopropyl)amino}-3-méthyl-1-oxo-2-butanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](2-methylcyclopropyl)amino}-3-methyl-1-oxo-2-butanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](2-methylcyclopropyl)amino}-3-methyl-1-oxo-2-butanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](2-methylcyclopropyl)amino]carbonyl]-2-methylpropyl]-, 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: 676.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 363.1±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 142.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 307.82
ACD/KOC (pH 5.5): 1149.83
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 258.30
ACD/KOC (pH 7.4): 964.86
Polar Surface Area: 115 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 428.4±7.0 cm3

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