ChemSpider 2D Image | N~3~-Acetyl-N-cyclopentyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-beta-alaninamide | C25H39N3O2

N3-Acetyl-N-cyclopentyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-β-alaninamide

  • Molecular FormulaC25H39N3O2
  • Average mass413.596 Da
  • Monoisotopic mass413.304230 Da
  • ChemSpider ID22173563

More details:

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

N3-Acetyl-N-cyclopentyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-β-alaninamid [German] [ACD/IUPAC Name]
N3-Acetyl-N-cyclopentyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-β-alaninamide [ACD/IUPAC Name]
N3-Acétyl-N-cyclopentyl-N-({1-[2-(2-méthylphényl)éthyl]-4-pipéridinyl}méthyl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-(acetylamino)-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidinyl]methyl]- [ACD/Index Name]
N3-acetyl-N1-cyclopentyl-N1-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-β-alaninamide
N-CYCLOPENTYL-3-ACETAMIDO-N-({1-[2-(2-METHYLPHENYL)ETHYL]PIPERIDIN-4-YL}METHYL)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: 614.4±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.4±28.2 °C
Index of Refraction: 1.561
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.84
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 11.97
ACD/KOC (pH 7.4): 78.58
Polar Surface Area: 53 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 377.5±5.0 cm3

Click to predict properties on the Chemicalize site


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