ChemSpider 2D Image | 3-{(3-Ethoxypropyl)[(trans-4-ethylcyclohexyl)carbonyl]amino}-2-methylpropanoic acid | C18H33NO4

3-{(3-Ethoxypropyl)[(trans-4-ethylcyclohexyl)carbonyl]amino}-2-methylpropanoic acid

  • Molecular FormulaC18H33NO4
  • Average mass327.459 Da
  • Monoisotopic mass327.240967 Da
  • ChemSpider ID57974730

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

3-{(3-Ethoxypropyl)[(trans-4-ethylcyclohexyl)carbonyl]amino}-2-methylpropanoic acid [ACD/IUPAC Name]
3-{(3-Ethoxypropyl)[(trans-4-ethylcyclohexyl)carbonyl]amino}-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 3-{(3-éthoxypropyl)[(trans-4-éthylcyclohexyl)carbonyl]amino}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(3-ethoxypropyl)[(trans-4-ethylcyclohexyl)carbonyl]amino]-2-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 484.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.1±6.0 kJ/mol
Flash Point: 246.8±26.8 °C
Index of Refraction: 1.483
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 9.85
ACD/KOC (pH 5.5): 76.57
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 315.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement