ChemSpider 2D Image | 2-[1-(2,5-Dimethoxybenzyl)-4-piperidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylnicotinamide | C31H39N3O5

2-[1-(2,5-Dimethoxybenzyl)-4-piperidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylnicotinamide

  • Molecular FormulaC31H39N3O5
  • Average mass533.659 Da
  • Monoisotopic mass533.289001 Da
  • ChemSpider ID22722492

More details:

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

2-[1-(2,5-Dimethoxybenzyl)-4-piperidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylnicotinamid [German] [ACD/IUPAC Name]
2-[1-(2,5-Dimethoxybenzyl)-4-piperidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylnicotinamide [ACD/IUPAC Name]
2-[1-(2,5-Diméthoxybenzyl)-4-pipéridinyl]-N-[2-(3,4-diméthoxyphényl)éthyl]-6-méthylnicotinamide [French] [ACD/IUPAC Name]
3-Pyridinecarboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidinyl]-6-methyl- [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: 675.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 152.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 4.45
ACD/KOC (pH 5.5): 26.87
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 196.13
ACD/KOC (pH 7.4): 1183.26
Polar Surface Area: 82 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 463.1±3.0 cm3

Click to predict properties on the Chemicalize site


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