Found 2 results

Search term: YPYXUTXTUCUIAI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5R)-1-[3-(Dimethylamino)propyl]-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one | C27H33N3O6

(5R)-1-[3-(Dimethylamino)propyl]-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC27H33N3O6
  • Average mass495.567 Da
  • Monoisotopic mass495.236938 Da
  • ChemSpider ID62415177

  • 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-(4-isobutoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5R)-1-[3-(Dimethylamino)propyl]-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5R)-1-[3-(Diméthylamino)propyl]-3-hydroxy-4-(4-isobutoxy-2-méthylbenzoyl)-5-(4-nitrophényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
(5R)-1-[3-(Dimethylammonio)propyl]-4-(4-isobutoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olat [German] [ACD/IUPAC Name]
(5R)-1-[3-(Dimethylammonio)propyl]-4-(4-isobutoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [ACD/IUPAC Name]
(5R)-1-[3-(Diméthylammonio)propyl]-4-(4-isobutoxy-2-méthylbenzoyl)-5-(4-nitrophényl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [French] [ACD/IUPAC Name]
1H-Pyrrole-1-propanaminium, 2,5-dihydro-3-hydroxy-N,N-dimethyl-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-(4-nitrophenyl)-2-oxo-, inner salt, (5R)- [ACD/Index Name]
2H-Pyrrol-2-one, 1-[3-(dimethylamino)propyl]-1,5-dihydro-3-hydroxy-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-(4-nitrophenyl)-, (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: 689.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.5±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 9.09
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 9.66
Polar Surface Area: 116 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 400.1±3.0 cm3

Click to predict properties on the Chemicalize site


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