ChemSpider 2D Image | N-Cyclopentyl-N~2~-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-leucinamide | C24H33N3O5

N-Cyclopentyl-N2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-leucinamide

  • Molecular FormulaC24H33N3O5
  • Average mass443.536 Da
  • Monoisotopic mass443.242035 Da
  • ChemSpider ID22873420
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

3-Pyrrolidinecarboxamide, N-[(1S)-1-[(cyclopentylamino)carbonyl]-3-methylbutyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo- [ACD/Index Name]
N-Cyclopentyl-N2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-leucinamid [German] [ACD/IUPAC Name]
N-Cyclopentyl-N2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-leucinamide [ACD/IUPAC Name]
N-Cyclopentyl-N2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-leucinamide [French] [ACD/IUPAC Name]
1014023-60-9 [RN]
N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
N-cyclopentyl-N2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbonyl}-L-leucinamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 427.0±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.19
ACD/KOC (pH 5.5): 480.88
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.19
ACD/KOC (pH 7.4): 480.88
Polar Surface Area: 97 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 353.4±5.0 cm3

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