ChemSpider 2D Image | {4-[Butyryl(phenyl)amino]-1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-piperidinyl}methyl butyrate | C30H37N3O5

{4-[Butyryl(phenyl)amino]-1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-piperidinyl}methyl butyrate

  • Molecular FormulaC30H37N3O5
  • Average mass519.632 Da
  • Monoisotopic mass519.273315 Da
  • ChemSpider ID23242167

More details:

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

{4-[butanoyl(phenyl)amino]-1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]piperidin-4-yl}methyl butanoate
{4-[Butyryl(phenyl)amino]-1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-piperidinyl}methyl butyrate [ACD/IUPAC Name]
{4-[Butyryl(phenyl)amino]-1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-piperidinyl}methylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, [1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-4-[(1-oxobutyl)phenylamino]-4-piperidinyl]methyl ester [ACD/Index Name]
Butyrate de {4-[butyryl(phényl)amino]-1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)éthyl]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Butyric acid 4-(butyryl-phenyl-amino)-1-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-piperidin-4-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL369871/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 638.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 339.9±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 36.60
ACD/KOC (pH 5.5): 179.88
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 735.88
ACD/KOC (pH 7.4): 3617.12
Polar Surface Area: 87 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 432.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement