ChemSpider 2D Image | 3-(2-{[1-(3,5-Diethylphenyl)-3-methylbutyl]carbamoyl}-4-[(2,5-dimethylphenoxy)methyl]phenyl)propanoic acid | C34H43NO4

3-(2-{[1-(3,5-Diethylphenyl)-3-methylbutyl]carbamoyl}-4-[(2,5-dimethylphenoxy)methyl]phenyl)propanoic acid

  • Molecular FormulaC34H43NO4
  • Average mass529.709 Da
  • Monoisotopic mass529.319214 Da
  • ChemSpider ID9470479

More details:

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

3-(2-{[1-(3,5-Diethylphenyl)-3-methylbutyl]carbamoyl}-4-[(2,5-dimethylphenoxy)methyl]phenyl)propanoic acid [ACD/IUPAC Name]
3-(2-{[1-(3,5-Diethylphenyl)-3-methylbutyl]carbamoyl}-4-[(2,5-dimethylphenoxy)methyl]phenyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(2-{[1-(3,5-diéthylphényl)-3-méthylbutyl]carbamoyl}-4-[(2,5-diméthylphénoxy)méthyl]phényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-[[[1-(3,5-diethylphenyl)-3-methylbutyl]amino]carbonyl]-4-[(2,5-dimethylphenoxy)methyl]- [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: 675.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 158.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.80
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 29940.35
ACD/KOC (pH 5.5): 28749.93
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 470.83
ACD/KOC (pH 7.4): 452.11
Polar Surface Area: 76 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 484.5±3.0 cm3

Click to predict properties on the Chemicalize site


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