ChemSpider 2D Image | 2-[1-(3,4-Dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-(3,3,5,5-tetramethylcyclohexyl)acetamide | C25H39N3O4

2-[1-(3,4-Dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-(3,3,5,5-tetramethylcyclohexyl)acetamide

  • Molecular FormulaC25H39N3O4
  • Average mass445.595 Da
  • Monoisotopic mass445.294067 Da
  • ChemSpider ID22168814

More details:

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

2-[1-(3,4-Dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-(3,3,5,5-tetramethylcyclohexyl)acetamid [German] [ACD/IUPAC Name]
2-[1-(3,4-Dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-(3,3,5,5-tetramethylcyclohexyl)acetamide [ACD/IUPAC Name]
2-[1-(3,4-Diméthoxybenzyl)-3-oxo-2-pipérazinyl]-N-(3,3,5,5-tétraméthylcyclohexyl)acétamide [French] [ACD/IUPAC Name]
2-Piperazineacetamide, 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-N-(3,3,5,5-tetramethylcyclohexyl)- [ACD/Index Name]
2-(3-keto-1-veratryl-piperazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 630.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.9±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 41.88
ACD/KOC (pH 5.5): 380.23
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.70
ACD/KOC (pH 7.4): 1005.06
Polar Surface Area: 80 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 391.1±5.0 cm3

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