ChemSpider 2D Image | N-[2-(2-Bromoethoxy)phenyl]-2-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}acetamide | C20H30BrNO3

N-[2-(2-Bromoethoxy)phenyl]-2-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}acetamide

  • Molecular FormulaC20H30BrNO3
  • Average mass412.361 Da
  • Monoisotopic mass411.140900 Da
  • ChemSpider ID28669597

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acetamide, N-[2-(2-bromoethoxy)phenyl]-2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]- [ACD/Index Name]
N-[2-(2-Bromethoxy)phenyl]-2-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}acetamid [German] [ACD/IUPAC Name]
N-[2-(2-Bromoethoxy)phenyl]-2-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}acetamide [ACD/IUPAC Name]
N-[2-(2-Bromoéthoxy)phényl]-2-{[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyl]oxy}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 509.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.8±27.3 °C
Index of Refraction: 1.541
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8606.65
ACD/KOC (pH 5.5): 22810.75
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8606.96
ACD/KOC (pH 7.4): 22811.57
Polar Surface Area: 48 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 332.5±5.0 cm3

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