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

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

  • Molecular FormulaC40H44N2O3
  • Average mass600.789 Da
  • Monoisotopic mass600.335205 Da
  • ChemSpider ID117903914

More details:

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

2H-Pyrrol-2-one, 4-(4-butylbenzoyl)-1-[1-(4-ethylphenyl)ethyl]-5-[4-[ethyl(phenylmethyl)amino]phenyl]-1,5-dihydro-3-hydroxy- [ACD/Index Name]
5-{4-[Benzyl(ethyl)amino]phenyl}-4-(4-butylbenzoyl)-1-[1-(4-ethylphenyl)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-{4-[Benzyl(ethyl)amino]phenyl}-4-(4-butylbenzoyl)-1-[1-(4-ethylphenyl)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-{4-[Benzyl(éthyl)amino]phényl}-4-(4-butylbenzoyl)-1-[1-(4-éthylphényl)éthyl]-3-hydroxy-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: 776.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.5±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 183.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 10.52
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 63155.30
ACD/KOC (pH 5.5): 45603.28
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 1317.60
ACD/KOC (pH 7.4): 951.42
Polar Surface Area: 61 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 513.1±3.0 cm3

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