ChemSpider 2D Image | N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[(3S,4R)-1-isobutyl-4-(4-morpholinyl)-3-piperidinyl]propanamide | C26H43N3O4

N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[(3S,4R)-1-isobutyl-4-(4-morpholinyl)-3-piperidinyl]propanamide

  • Molecular FormulaC26H43N3O4
  • Average mass461.637 Da
  • Monoisotopic mass461.325348 Da
  • ChemSpider ID22864635

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Piperidinepropanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylpropyl)-4-(4-morpholinyl)-, (3S,4R)- [ACD/Index Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[(3S,4R)-1-isobutyl-4-(4-morpholinyl)-3-piperidinyl]propanamid [German] [ACD/IUPAC Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[(3S,4R)-1-isobutyl-4-(4-morpholinyl)-3-piperidinyl]propanamide [ACD/IUPAC Name]
N-[2-(3,4-Diméthoxyphényl)éthyl]-3-[(3S,4R)-1-isobutyl-4-(4-morpholinyl)-3-pipéridinyl]propanamide [French] [ACD/IUPAC Name]
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S*,4R*)-1-isobutyl-4-(4-morpholinyl)-3-piperidinyl]propanamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 324.8±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 131.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 10.20
Polar Surface Area: 63 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 432.4±3.0 cm3

Click to predict properties on the Chemicalize site


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