ChemSpider 2D Image | (5S)-5-[4-(Allyloxy)-3-ethoxyphenyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C28H34N2O5

(5S)-5-[4-(Allyloxy)-3-ethoxyphenyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H34N2O5
  • Average mass478.580 Da
  • Monoisotopic mass478.246765 Da
  • ChemSpider ID62641261

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-[4-(Allyloxy)-3-ethoxyphenyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5S)-5-[4-(Allyloxy)-3-ethoxyphenyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5S)-5-[4-(Allyloxy)-3-éthoxyphényl]-1-[3-(diméthylamino)propyl]-3-hydroxy-4-(4-méthylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
(5S)-5-[4-(Allyloxy)-3-ethoxyphenyl]-1-[3-(dimethylammonio)propyl]-4-(4-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olat [German] [ACD/IUPAC Name]
(5S)-5-[4-(Allyloxy)-3-ethoxyphenyl]-1-[3-(dimethylammonio)propyl]-4-(4-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [ACD/IUPAC Name]
(5S)-5-[4-(Allyloxy)-3-éthoxyphényl]-1-[3-(diméthylammonio)propyl]-4-(4-méthylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [French] [ACD/IUPAC Name]
1H-Pyrrole-1-propanaminium, 2-[3-ethoxy-4-(2-propen-1-yloxy)phenyl]-2,5-dihydro-4-hydroxy-N,N-dimethyl-3-(4-methylbenzoyl)-5-oxo-, inner salt, (2S)- [ACD/Index Name]
2H-Pyrrol-2-one, 1-[3-(dimethylamino)propyl]-5-[3-ethoxy-4-(2-propen-1-yloxy)phenyl]-1,5-dihydro-3-hydroxy-4-(4-methylbenzoyl)-, (5S)- [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: 648.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.7±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.31
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.71
Polar Surface Area: 79 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 407.0±3.0 cm3

Click to predict properties on the Chemicalize site


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