ChemSpider 2D Image | N-{2-[(2S,5R)-5-Benzyl-2-(4-methoxybenzyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl]ethyl}-3-cyclohexylpropanamide | C31H42N4O2

N-{2-[(2S,5R)-5-Benzyl-2-(4-methoxybenzyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl]ethyl}-3-cyclohexylpropanamide

  • Molecular FormulaC31H42N4O2
  • Average mass502.691 Da
  • Monoisotopic mass502.330780 Da
  • ChemSpider ID17324488

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanepropanamide, N-[2-[(2S,5R)-2,3,5,6-tetrahydro-2-[(4-methoxyphenyl)methyl]-5-(phenylmethyl)-1H-imidazo[1,2-a]imidazol-1-yl]ethyl]- [ACD/Index Name]
N-{2-[(2S,5R)-5-Benzyl-2-(4-methoxybenzyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl]ethyl}-3-cyclohexylpropanamid [German] [ACD/IUPAC Name]
N-{2-[(2S,5R)-5-Benzyl-2-(4-methoxybenzyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl]ethyl}-3-cyclohexylpropanamide [ACD/IUPAC Name]
N-{2-[(2S,5R)-5-Benzyl-2-(4-méthoxybenzyl)-2,3,5,6-tétrahydro-1H-imidazo[1,2-a]imidazol-1-yl]éthyl}-3-cyclohexylpropanamide [French] [ACD/IUPAC Name]
N-[2-[(3R,6S)-3-benzyl-6-p-anisyl-2,3,5,6-tetrahydroimidaz[1,2-a]imidazol-7-yl]ethyl]-3-cyclohexyl-propionamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.5±27.3 °C
Index of Refraction: 1.622
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 20.84
ACD/KOC (pH 5.5): 82.84
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 34.10
ACD/KOC (pH 7.4): 135.54
Polar Surface Area: 57 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 422.3±7.0 cm3

Click to predict properties on the Chemicalize site


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