ChemSpider 2D Image | 2-Methyl-2-propanyl {4-amino-1-[{1-(4-ethynylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}(2-methyl-2-butanyl)amino]-1,4-dioxo-2-butanyl}carbamate | C28H42N4O5

2-Methyl-2-propanyl {4-amino-1-[{1-(4-ethynylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}(2-methyl-2-butanyl)amino]-1,4-dioxo-2-butanyl}carbamate

  • Molecular FormulaC28H42N4O5
  • Average mass514.657 Da
  • Monoisotopic mass514.315491 Da
  • ChemSpider ID16544124

More details:

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

{4-Amino-1-[{1-(4-éthynylphényl)-2-[(2-méthyl-2-propanyl)amino]-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-[{1-(4-ethynylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}(2-methyl-2-butanyl)amino]-1,4-dioxo-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{4-amino-1-[{1-(4-ethinylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}(2-methyl-2-butanyl)amino]-1,4-dioxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-amino-1-[[[2-[(1,1-dimethylethyl)amino]-1-(4-ethynylphenyl)-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: 1.1±0.1 g/cm3
Boiling Point: 659.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.3±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 3.10
ACD/KOC (pH 5.5): 15.18
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 9.84
Polar Surface Area: 139 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 37.4±7.0 dyne/cm
Molar Volume: 474.2±7.0 cm3

Click to predict properties on the Chemicalize site


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