ChemSpider 2D Image | 2-Methyl-2-propanyl (4-amino-1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](2-methyl-2-butanyl)amino}-1,4-dioxo-2-butanyl)carbamate | C29H46N4O6

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

  • Molecular FormulaC29H46N4O6
  • Average mass546.699 Da
  • Monoisotopic mass546.341736 Da
  • ChemSpider ID16544293

More details:

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

(4-Amino-1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-méthylphényl)-2-oxoéthyl](2-méthyl-2-butanyl)amino}-1,4-dioxo-2-butanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (4-amino-1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](2-methyl-2-butanyl)amino}-1,4-dioxo-2-butanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4-amino-1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](2-methyl-2-butanyl)amino}-1,4-dioxo-2-butanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-amino-1-[[[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](1,1-dimethylpropyl)amino]carbonyl]-3-oxopropyl]-, 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: 715.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.6±35.7 °C
Index of Refraction: 1.565
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 4.81
ACD/KOC (pH 5.5): 20.83
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 13.38
Polar Surface Area: 159 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 456.2±7.0 cm3

Click to predict properties on the Chemicalize site


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