ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{allyl[1-(4-ethynylphenyl)-2-(2-naphthylamino)-2-oxoethyl]amino}-3-methyl-1-oxo-2-pentanyl)carbamate | C34H39N3O4

2-Methyl-2-propanyl (1-{allyl[1-(4-ethynylphenyl)-2-(2-naphthylamino)-2-oxoethyl]amino}-3-methyl-1-oxo-2-pentanyl)carbamate

  • Molecular FormulaC34H39N3O4
  • Average mass553.691 Da
  • Monoisotopic mass553.294067 Da
  • ChemSpider ID16512496

More details:






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

(1-{Allyl[1-(4-éthynylphényl)-2-(2-naphtylamino)-2-oxoéthyl]amino}-3-méthyl-1-oxo-2-pentanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{allyl[1-(4-ethynylphenyl)-2-(2-naphthylamino)-2-oxoethyl]amino}-3-methyl-1-oxo-2-pentanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{allyl[1-(4-ethinylphenyl)-2-(2-naphthylamino)-2-oxoethyl]amino}-3-methyl-1-oxo-2-pentanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(4-ethynylphenyl)-2-(2-naphthalenylamino)-2-oxoethyl]-2-propen-1-ylamino]carbonyl]-2-methylbutyl]-, 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: 715.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.2±35.7 °C
Index of Refraction: 1.558
Molar Refractivity: 164.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 8917.05
ACD/KOC (pH 5.5): 20084.35
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 5393.49
ACD/KOC (pH 7.4): 12148.06
Polar Surface Area: 95 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 38.6±7.0 dyne/cm
Molar Volume: 511.3±7.0 cm3

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