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

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

  • Molecular FormulaC31H42N4O2
  • Average mass502.691 Da
  • Monoisotopic mass502.330780 Da
  • ChemSpider ID17324436

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Cyclohexanepropanamide, N-[(1S)-1-methyl-2-[(2R,5S)-2,3,5,6-tetrahydro-2-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1H-imidazo[1,2-a]imidazol-1-yl]ethyl]- [ACD/Index Name]
N-{(2S)-1-[(2R,5S)-5-Benzyl-2-(4-hydroxybenzyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl]-2-propanyl}-3-cyclohexylpropanamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[(2R,5S)-5-Benzyl-2-(4-hydroxybenzyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl]-2-propanyl}-3-cyclohexylpropanamide [ACD/IUPAC Name]
N-{(2S)-1-[(2R,5S)-5-Benzyl-2-(4-hydroxybenzyl)-2,3,5,6-tétrahydro-1H-imidazo[1,2-a]imidazol-1-yl]-2-propanyl}-3-cyclohexylpropanamide [French] [ACD/IUPAC Name]
N-[(1S)-2-[(3S,6R)-3-benzyl-6-(4-hydroxybenzyl)-2,3,5,6-tetrahydroimidaz[1,2-a]imidazol-7-yl]-1-methyl-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: 746.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 405.0±27.3 °C
Index of Refraction: 1.637
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 11.38
ACD/KOC (pH 5.5): 53.68
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 16.79
ACD/KOC (pH 7.4): 79.23
Polar Surface Area: 68 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 413.1±7.0 cm3

Click to predict properties on the Chemicalize site


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