ChemSpider 2D Image | 3-{[trans-4-(Dimethylamino)cyclohexyl](ethyl)amino}-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-2-methyl-5-(6-methyl-3-pyridinyl)benzamide | C32H43N5O2

3-{[trans-4-(Dimethylamino)cyclohexyl](ethyl)amino}-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-2-methyl-5-(6-methyl-3-pyridinyl)benzamide

  • Molecular FormulaC32H43N5O2
  • Average mass529.716 Da
  • Monoisotopic mass529.341675 Da
  • ChemSpider ID58892220

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{[trans-4-(Dimethylamino)cyclohexyl](ethyl)amino}-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-2-methyl-5-(6-methyl-3-pyridinyl)benzamid [German] [ACD/IUPAC Name]
3-{[trans-4-(Dimethylamino)cyclohexyl](ethyl)amino}-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-2-methyl-5-(6-methyl-3-pyridinyl)benzamide [ACD/IUPAC Name]
3-{[trans-4-(Diméthylamino)cyclohexyl](éthyl)amino}-N-[(4,6-diméthyl-2-oxo-1,2-dihydro-3-pyridinyl)méthyl]-2-méthyl-5-(6-méthyl-3-pyridinyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[[trans-4-(dimethylamino)cyclohexyl]ethylamino]-2-methyl-5-(6-methyl-3-pyridinyl)- [ACD/Index 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: 707.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.8±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.40
Polar Surface Area: 78 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 453.2±5.0 cm3

Click to predict properties on the Chemicalize site


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