ChemSpider 2D Image | 5-{4-[Benzyl(ethyl)amino]phenyl}-4-(4-butylbenzoyl)-3-hydroxy-1-(4-phenylbutyl)-1,5-dihydro-2H-pyrrol-2-one | C40H44N2O3

5-{4-[Benzyl(ethyl)amino]phenyl}-4-(4-butylbenzoyl)-3-hydroxy-1-(4-phenylbutyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC40H44N2O3
  • Average mass600.789 Da
  • Monoisotopic mass600.335205 Da
  • ChemSpider ID117903432

More details:

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

2H-Pyrrol-2-one, 4-(4-butylbenzoyl)-5-[4-[ethyl(phenylmethyl)amino]phenyl]-1,5-dihydro-3-hydroxy-1-(4-phenylbutyl)- [ACD/Index Name]
5-{4-[Benzyl(ethyl)amino]phenyl}-4-(4-butylbenzoyl)-3-hydroxy-1-(4-phenylbutyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-{4-[Benzyl(ethyl)amino]phenyl}-4-(4-butylbenzoyl)-3-hydroxy-1-(4-phenylbutyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-{4-[Benzyl(éthyl)amino]phényl}-4-(4-butylbenzoyl)-3-hydroxy-1-(4-phénylbutyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC 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: 789.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 431.1±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 182.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 10.37
ACD/LogD (pH 5.5): 7.00
ACD/BCF (pH 5.5): 65993.32
ACD/KOC (pH 5.5): 47060.96
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 1376.81
ACD/KOC (pH 7.4): 981.83
Polar Surface Area: 61 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 516.1±3.0 cm3

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