ChemSpider 2D Image | 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-methyl-1-oxo-1-(1-piperidinyl)-2-pentanyl]-5-oxo-3-pyrrolidinecarboxamide | C24H33N3O5

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-methyl-1-oxo-1-(1-piperidinyl)-2-pentanyl]-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC24H33N3O5
  • Average mass443.536 Da
  • Monoisotopic mass443.242035 Da
  • ChemSpider ID113597690

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-methyl-1-oxo-1-(1-piperidinyl)-2-pentanyl]-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-methyl-1-oxo-1-(1-piperidinyl)-2-pentanyl]-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-méthyl-1-oxo-1-(1-pipéridinyl)-2-pentanyl]-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2-methyl-1-(1-piperidinylcarbonyl)butyl]-5-oxo- [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: 753.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.3±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.35
ACD/KOC (pH 5.5): 437.56
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.35
ACD/KOC (pH 7.4): 437.56
Polar Surface Area: 88 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 359.9±3.0 cm3

Click to predict properties on the Chemicalize site


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