ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](2-methylcyclopropyl)amino}-3-methyl-1-oxo-2-butanyl)carbamate | C28H45N3O5

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

  • Molecular FormulaC28H45N3O5
  • Average mass503.674 Da
  • Monoisotopic mass503.335907 Da
  • ChemSpider ID16531466

More details:






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

(1-{[1-(4-Hydroxy-3-méthylphényl)-2-oxo-2-(2-pentanylamino)éthyl](2-méthylcyclopropyl)amino}-3-méthyl-1-oxo-2-butanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](2-methylcyclopropyl)amino}-3-methyl-1-oxo-2-butanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](2-methylcyclopropyl)amino}-3-methyl-1-oxo-2-butanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(4-hydroxy-3-methylphenyl)-2-[(1-methylbutyl)amino]-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

Density: 1.1±0.1 g/cm3
Boiling Point: 651.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.5±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 174.46
ACD/KOC (pH 5.5): 680.74
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 145.86
ACD/KOC (pH 7.4): 569.14
Polar Surface Area: 115 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 439.1±7.0 cm3

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