ChemSpider 2D Image | 2-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]acetamide | C13H23N5O3

2-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]acetamide

  • Molecular FormulaC13H23N5O3
  • Average mass297.353 Da
  • Monoisotopic mass297.180084 Da
  • ChemSpider ID53580163

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]acetamide [ACD/IUPAC Name]
2-[(2R,6S)-2,6-Diméthyl-4-morpholinyl]-N-[2-(4-méthyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)éthyl]acétamide [French] [ACD/IUPAC Name]
4-Morpholineacetamide, N-[2-(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2,6-dimethyl-, (2R,6S)- [ACD/Index Name]
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 77.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.87
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.69
Polar Surface Area: 86 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 219.1±7.0 cm3

Click to predict properties on the Chemicalize site


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