ChemSpider 2D Image | N-Allyl-N-{1-(4-ethynylphenyl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}isoleucinamide | C31H39N3O5

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

  • Molecular FormulaC31H39N3O5
  • Average mass533.659 Da
  • Monoisotopic mass533.289001 Da
  • ChemSpider ID16512499

More details:






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

Carbamic acid, N-[1-[[[1-(4-ethynylphenyl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl]-2-propen-1-ylamino]carbonyl]-2-methylbutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-Allyl-N-{1-(4-ethinylphenyl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}isoleucinamid [German] [ACD/IUPAC Name]
N-Allyl-N-{1-(4-ethynylphenyl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}isoleucinamide [ACD/IUPAC Name]
N-Allyl-N-{1-(4-éthynylphényl)-2-[(4-méthoxyphényl)amino]-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.535
Molar Refractivity: 154.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2225.60
ACD/KOC (pH 5.5): 8639.42
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 1963.67
ACD/KOC (pH 7.4): 7622.64
Polar Surface Area: 100 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 36.9±7.0 dyne/cm
Molar Volume: 497.3±7.0 cm3

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