ChemSpider 2D Image | N-Phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-1,3-benzodioxole-5-carboxamide | C27H28N2O3

N-Phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC27H28N2O3
  • Average mass428.523 Da
  • Monoisotopic mass428.209991 Da
  • ChemSpider ID68004105

More details:

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

1,3-Benzodioxole-5-carboxamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]- [ACD/Index Name]
N-Phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-Phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-Phényl-N-[1-(2-phényléthyl)-4-pipéridinyl]-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]
Benzodioxole fentanyl
N-(1-phenethylpiperidin-4-yl)-N-phenylbenzo[d][1,3]dioxole-5-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 593.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.6±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 14.41
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 152.37
ACD/KOC (pH 7.4): 679.53
Polar Surface Area: 42 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 349.9±3.0 cm3

Click to predict properties on the Chemicalize site


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