ChemSpider 2D Image | N~2~-{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-(2-methoxyethyl)-L-valinamide | C20H27N3O6

N2-{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-(2-methoxyethyl)-L-valinamide

  • Molecular FormulaC20H27N3O6
  • Average mass405.445 Da
  • Monoisotopic mass405.189972 Da
  • ChemSpider ID22880176
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

3-Pyrrolidinecarboxamide, 1-(1,3-benzodioxol-5-yl)-N-[(1S)-1-[[(2-methoxyethyl)amino]carbonyl]-2-methylpropyl]-5-oxo- [ACD/Index Name]
N2-{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-(2-methoxyethyl)-L-valinamid [German] [ACD/IUPAC Name]
N2-{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-(2-methoxyethyl)-L-valinamide [ACD/IUPAC Name]
N2-{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-N-(2-méthoxyéthyl)-L-valinamide [French] [ACD/IUPAC Name]
1-(1,3-benzodioxol-5-yl)-N-[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-5-oxopyrrolidine-3-carboxamide
1212448-24-2 [RN]
AKOS005538563
C20H27N3O6
MCULE-1408466075
MolPort-002-653-833
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 755.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 411.0±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 61.79
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 61.79
Polar Surface Area: 106 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 320.3±3.0 cm3

Click to predict properties on the Chemicalize site






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