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

  • Molecular FormulaC29H44N4O5
  • Average mass528.683 Da
  • Monoisotopic mass528.331177 Da
  • ChemSpider ID16544127

More details:

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

(4-Amino-1-{[1-(4-éthynylphényl)-2-oxo-2-(pentylamino)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-(pentylamino)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-(pentylamino)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-oxo-2-(pentylamino)ethyl]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: 676.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 362.6±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 150.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 13.10
ACD/KOC (pH 5.5): 42.67
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 8.52
ACD/KOC (pH 7.4): 27.74
Polar Surface Area: 139 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 38.4±7.0 dyne/cm
Molar Volume: 486.6±7.0 cm3

Click to predict properties on the Chemicalize site


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