ChemSpider 2D Image | N-Allyl-N-[2-(cyclohexylamino)-1-(4-ethynylphenyl)-2-oxoethyl]-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}isoleucinamide | C30H43N3O4

N-Allyl-N-[2-(cyclohexylamino)-1-(4-ethynylphenyl)-2-oxoethyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}isoleucinamide

  • Molecular FormulaC30H43N3O4
  • Average mass509.680 Da
  • Monoisotopic mass509.325348 Da
  • ChemSpider ID16512493

More details:






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

Carbamic acid, N-[1-[[[2-(cyclohexylamino)-1-(4-ethynylphenyl)-2-oxoethyl]-2-propen-1-ylamino]carbonyl]-2-methylbutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-Allyl-N-[2-(cyclohexylamino)-1-(4-ethinylphenyl)-2-oxoethyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}isoleucinamid [German] [ACD/IUPAC Name]
N-Allyl-N-[2-(cyclohexylamino)-1-(4-ethynylphenyl)-2-oxoethyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}isoleucinamide [ACD/IUPAC Name]
N-Allyl-N-[2-(cyclohexylamino)-1-(4-éthynylphényl)-2-oxoéthyl]-N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}isoleucinamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 651.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 347.7±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 149.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1130.90
ACD/KOC (pH 5.5): 3493.32
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 992.73
ACD/KOC (pH 7.4): 3066.51
Polar Surface Area: 95 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 37.2±7.0 dyne/cm
Molar Volume: 475.7±7.0 cm3

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