ChemSpider 2D Image | 2-Methyl-2-propanyl (4-amino-1-{[1-(4-ethynylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](2-methyl-2-butanyl)amino}-1,4-dioxo-2-butanyl)carbamate | C29H44N4O5

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

  • Molecular FormulaC29H44N4O5
  • Average mass528.683 Da
  • Monoisotopic mass528.331177 Da
  • ChemSpider ID16544126

More details:

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

(4-Amino-1-{[1-(4-éthynylphényl)-2-oxo-2-(2-pentanylamino)éthyl](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-oxo-2-(2-pentanylamino)ethyl](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-oxo-2-(2-pentanylamino)ethyl](2-methyl-2-butanyl)amino}-1,4-dioxo-2-butanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-amino-1-[[(1,1-dimethylpropyl)[1-(4-ethynylphenyl)-2-[(1-methylbutyl)amino]-2-oxoethyl]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: 672.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.2±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 149.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 21.13
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 13.60
Polar Surface Area: 139 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 485.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement