ChemSpider 2D Image | 2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenoxybenzoic acid | C24H29NO4

2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenoxybenzoic acid

  • Molecular FormulaC24H29NO4
  • Average mass395.491 Da
  • Monoisotopic mass395.209656 Da
  • ChemSpider ID31132500

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{[(Trans-4-Methylcyclohexyl)carbonyl](Propan-2-Yl)amino}-5-Phenoxybenzoic Acid
2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenoxybenzoesäure [German] [ACD/IUPAC Name]
2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenoxybenzoic acid [ACD/IUPAC Name]
Acide 2-{isopropyl[(trans-4-méthylcyclohexyl)carbonyl]amino}-5-phénoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-5-phenoxy- [ACD/Index Name]
1O6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 566.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.3±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 46.28
ACD/KOC (pH 5.5): 143.29
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 4.07
ACD/KOC (pH 7.4): 12.60
Polar Surface Area: 67 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 340.1±3.0 cm3

Click to predict properties on the Chemicalize site


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