ChemSpider 2D Image | (2S,5R)-N-[4-(2-Amino-2-oxoethyl)phenyl]-2-isopropyl-5-methylcyclohexanecarboxamide | C19H28N2O2

(2S,5R)-N-[4-(2-Amino-2-oxoethyl)phenyl]-2-isopropyl-5-methylcyclohexanecarboxamide

  • Molecular FormulaC19H28N2O2
  • Average mass316.438 Da
  • Monoisotopic mass316.215088 Da
  • ChemSpider ID26233408

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,5R)-N-[4-(2-Amino-2-oxoethyl)phenyl]-2-isopropyl-5-methylcyclohexancarboxamid [German] [ACD/IUPAC Name]
(2S,5R)-N-[4-(2-Amino-2-oxoethyl)phenyl]-2-isopropyl-5-methylcyclohexanecarboxamide [ACD/IUPAC Name]
(2S,5R)-N-[4-(2-Amino-2-oxo-ethyl)phenyl]-2-isopropyl-5-methylcyclohexanecarboxamide
(2S,5R)-N-[4-(2-Amino-2-oxoéthyl)phényl]-2-isopropyl-5-méthylcyclohexanecarboxamide [French] [ACD/IUPAC Name]
(2S,5R)-N-[4-(2-Amino-2-oxoethyl)phenyl]-5-methyl-2-(propan-2-yl)cyclohexanecarboxamiide
1119711-29-3 [RN]
20789527 [Beilstein]
4-[[[(2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]carbonyl]amino]benzeneacetamide
Benzeneacetamide, 4-[[[(2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]carbonyl]amino]- [ACD/Index Name]
L6TJ AY1&1 BVMR D1VZ& D1 &&(2S,5R)- Form [WLN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 549.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.2±28.2 °C
Index of Refraction: 1.553
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 400.09
ACD/KOC (pH 5.5): 2536.44
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 400.09
ACD/KOC (pH 7.4): 2536.48
Polar Surface Area: 72 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 290.8±3.0 cm3

Click to predict properties on the Chemicalize site


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