ChemSpider 2D Image | (1S,3S)-N-Cyclopentyl-3-hydroxy-N-(2,3,4-trimethoxybenzyl)cyclohexanecarboxamide | C22H33NO5

(1S,3S)-N-Cyclopentyl-3-hydroxy-N-(2,3,4-trimethoxybenzyl)cyclohexanecarboxamide

  • Molecular FormulaC22H33NO5
  • Average mass391.501 Da
  • Monoisotopic mass391.235870 Da
  • ChemSpider ID35093332

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3S)-N-Cyclopentyl-3-hydroxy-N-(2,3,4-trimethoxybenzyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
(1S,3S)-N-Cyclopentyl-3-hydroxy-N-(2,3,4-trimethoxybenzyl)cyclohexanecarboxamide [ACD/IUPAC Name]
(1S,3S)-N-Cyclopentyl-3-hydroxy-N-(2,3,4-triméthoxybenzyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, N-cyclopentyl-3-hydroxy-N-[(2,3,4-trimethoxyphenyl)methyl]-, (1S,3S)- [ACD/Index Name]
trans-N-cyclopentyl-3-hydroxy-N-(2,3,4-trimethoxybenzyl)cyclohexanecarboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.0±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.32
ACD/KOC (pH 5.5): 533.54
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.32
ACD/KOC (pH 7.4): 533.54
Polar Surface Area: 68 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 333.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement