ChemSpider 2D Image | N-[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide | C27H34N2O2

N-[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide

  • Molecular FormulaC27H34N2O2
  • Average mass418.571 Da
  • Monoisotopic mass418.262024 Da
  • ChemSpider ID21623900

More details:

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

2-Benzofurancarboxamide, N-[2-(hexahydro-1H-azepin-1-yl)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl- [ACD/Index Name]
N-[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
N-[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
N-[2-(1-Azépanyl)-2-(4-méthylphényl)éthyl]-3,4,6-triméthyl-1-benzofurane-2-carboxamide [French] [ACD/IUPAC Name]
N-[2-(Azepan-1-yl)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.0±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 127.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 34.04
ACD/KOC (pH 5.5): 76.09
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 1560.27
ACD/KOC (pH 7.4): 3487.99
Polar Surface Area: 45 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 377.6±3.0 cm3

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