ChemSpider 2D Image | (5S)-1-[3-(Dibutylamino)propyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one | C33H46N2O4

(5S)-1-[3-(Dibutylamino)propyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC33H46N2O4
  • Average mass534.729 Da
  • Monoisotopic mass534.345764 Da
  • ChemSpider ID62324529

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-1-[3-(Dibutylamino)propyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5S)-1-[3-(Dibutylamino)propyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5S)-1-[3-(Dibutylamino)propyl]-3-hydroxy-4-(4-isobutoxy-3-méthylbenzoyl)-5-phényl-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
(5S)-1-[3-(Dibutylammonio)propyl]-4-(4-isobutoxy-3-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-3-olat [German] [ACD/IUPAC Name]
(5S)-1-[3-(Dibutylammonio)propyl]-4-(4-isobutoxy-3-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-3-olate [ACD/IUPAC Name]
(5S)-1-[3-(Dibutylammonio)propyl]-4-(4-isobutoxy-3-méthylbenzoyl)-2-oxo-5-phényl-2,5-dihydro-1H-pyrrol-3-olate [French] [ACD/IUPAC Name]
1H-Pyrrole-1-propanaminium, N,N-dibutyl-2,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-2-oxo-5-phenyl-, inner salt, (5S)- [ACD/Index Name]
2H-Pyrrol-2-one, 1-[3-(dibutylamino)propyl]-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-5-phenyl-, (5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.9±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 157.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 186.93
ACD/KOC (pH 5.5): 281.02
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 199.28
ACD/KOC (pH 7.4): 299.59
Polar Surface Area: 70 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 487.3±3.0 cm3

Click to predict properties on the Chemicalize site


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