ChemSpider 2D Image | (5R)-1-[3-(Dimethylamino)propyl]-3-hydroxy-4-(3-methyl-4-propoxybenzoyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C32H36N2O5

(5R)-1-[3-(Dimethylamino)propyl]-3-hydroxy-4-(3-methyl-4-propoxybenzoyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID62499886

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-1-[3-(Dimethylamino)propyl]-3-hydroxy-4-(3-methyl-4-propoxybenzoyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5R)-1-[3-(Dimethylamino)propyl]-3-hydroxy-4-(3-methyl-4-propoxybenzoyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5R)-1-[3-(Diméthylamino)propyl]-3-hydroxy-4-(3-méthyl-4-propoxybenzoyl)-5-(3-phénoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
(5R)-1-[3-(Dimethylammonio)propyl]-4-(3-methyl-4-propoxybenzoyl)-2-oxo-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-3-olat [German] [ACD/IUPAC Name]
(5R)-1-[3-(Dimethylammonio)propyl]-4-(3-methyl-4-propoxybenzoyl)-2-oxo-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-3-olate [ACD/IUPAC Name]
(5R)-1-[3-(Diméthylammonio)propyl]-4-(3-méthyl-4-propoxybenzoyl)-2-oxo-5-(3-phénoxyphényl)-2,5-dihydro-1H-pyrrol-3-olate [French] [ACD/IUPAC Name]
1H-Pyrrole-1-propanaminium, 2,5-dihydro-3-hydroxy-N,N-dimethyl-4-(3-methyl-4-propoxybenzoyl)-2-oxo-5-(3-phenoxyphenyl)-, inner salt, (5R)- [ACD/Index Name]
2H-Pyrrol-2-one, 1-[3-(dimethylamino)propyl]-1,5-dihydro-3-hydroxy-4-(3-methyl-4-propoxybenzoyl)-5-(3-phenoxyphenyl)-, (5R)- [ACD/Index 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: 698.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.1±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 12.57
ACD/KOC (pH 5.5): 40.70
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 13.36
ACD/KOC (pH 7.4): 43.29
Polar Surface Area: 79 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 442.0±3.0 cm3

Click to predict properties on the Chemicalize site


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