ChemSpider 2D Image | 2-[(2-{2-[(1-Hydroxy-3-phenyl-2-propanyl)amino]-2-oxoethyl}-4-pentenoyl)amino]-3-methylbutyl 2-benzyl-6-heptenoate | C35H48N2O5

2-[(2-{2-[(1-Hydroxy-3-phenyl-2-propanyl)amino]-2-oxoethyl}-4-pentenoyl)amino]-3-methylbutyl 2-benzyl-6-heptenoate

  • Molecular FormulaC35H48N2O5
  • Average mass576.766 Da
  • Monoisotopic mass576.356323 Da
  • ChemSpider ID4391671

More details:

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

2-[(2-{2-[(1-Hydroxy-3-phenyl-2-propanyl)amino]-2-oxoethyl}-4-pentenoyl)amino]-3-methylbutyl 2-benzyl-6-heptenoate [ACD/IUPAC Name]
2-[(2-{2-[(1-Hydroxy-3-phenyl-2-propanyl)amino]-2-oxoethyl}-4-pentenoyl)amino]-3-methylbutyl-2-benzyl-6-heptenoat [German] [ACD/IUPAC Name]
2-Benzyl-6-hepténoate de 2-[(2-{2-[(1-hydroxy-3-phényl-2-propanyl)amino]-2-oxoéthyl}-4-pentenoyl)amino]-3-méthylbutyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-4-penten-1-yl-, 2-[[2-[2-[[2-hydroxy-1-(phenylmethyl)ethyl]amino]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]-3-methylbutyl 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: 770.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 419.8±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 167.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14123.25
ACD/KOC (pH 5.5): 32517.05
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14123.27
ACD/KOC (pH 7.4): 32517.09
Polar Surface Area: 105 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 534.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement