ChemSpider 2D Image | N-{2-[(3R)-3-{[3-(2-Allylphenoxy)-2-hydroxypropyl]amino}-3-methylcyclohexyl]-2-propanyl}-2-bromoacetamide | C24H37BrN2O3

N-{2-[(3R)-3-{[3-(2-Allylphenoxy)-2-hydroxypropyl]amino}-3-methylcyclohexyl]-2-propanyl}-2-bromoacetamide

  • Molecular FormulaC24H37BrN2O3
  • Average mass481.466 Da
  • Monoisotopic mass480.198761 Da
  • ChemSpider ID26372642

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Acetamide, 2-bromo-N-[1-[(3R)-3-[[2-hydroxy-3-[2-(2-propen-1-yl)phenoxy]propyl]amino]-3-methylcyclohexyl]-1-methylethyl]- [ACD/Index Name]
N-{2-[(3R)-3-{[3-(2-Allylphenoxy)-2-hydroxypropyl]amino}-3-methylcyclohexyl]-2-propanyl}-2-bromacetamid [German] [ACD/IUPAC Name]
N-{2-[(3R)-3-{[3-(2-Allylphenoxy)-2-hydroxypropyl]amino}-3-methylcyclohexyl]-2-propanyl}-2-bromoacetamide [ACD/IUPAC Name]
N-{2-[(3R)-3-{[3-(2-Allylphénoxy)-2-hydroxypropyl]amino}-3-méthylcyclohexyl]-2-propanyl}-2-bromoacétamide [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: 633.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 336.8±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 7.31
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 16.29
ACD/KOC (pH 7.4): 64.58
Polar Surface Area: 71 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 390.8±5.0 cm3

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