ChemSpider 2D Image | {4-[Isobutyryl(phenyl)amino]-1-(2-phenylethyl)-4-piperidinyl}methyl 2-methylpropanoate | C28H38N2O3

{4-[Isobutyryl(phenyl)amino]-1-(2-phenylethyl)-4-piperidinyl}methyl 2-methylpropanoate

  • Molecular FormulaC28H38N2O3
  • Average mass450.613 Da
  • Monoisotopic mass450.288239 Da
  • ChemSpider ID23242466

More details:

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

{4-[(2-methylpropanoyl)(phenyl)amino]-1-(2-phenylethyl)piperidin-4-yl}methyl 2-methylpropanoate
{4-[Isobutyryl(phenyl)amino]-1-(2-phenylethyl)-4-piperidinyl}methyl 2-methylpropanoate [ACD/IUPAC Name]
{4-[Isobutyryl(phenyl)amino]-1-(2-phenylethyl)-4-piperidinyl}methyl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de {4-[isobutyryl(phényl)amino]-1-(2-phényléthyl)-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, [4-[(2-methyl-1-oxopropyl)phenylamino]-1-(2-phenylethyl)-4-piperidinyl]methyl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL362439/
Isobutyric acid 4-(isobutyryl-phenyl-amino)-1-phenethyl-piperidin-4-ylmethyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 545.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.5±27.3 °C
Index of Refraction: 1.554
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 26.32
ACD/KOC (pH 5.5): 84.02
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1295.50
ACD/KOC (pH 7.4): 4135.98
Polar Surface Area: 50 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 415.7±3.0 cm3

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