ChemSpider 2D Image | 1-(Cyclobutylcarbonyl)-N-{4-[2-({4-[methyl(2-phenylethyl)carbamoyl]phenyl}amino)-2-oxoethyl]phenyl}-4-piperidinecarboxamide | C35H40N4O4

1-(Cyclobutylcarbonyl)-N-{4-[2-({4-[methyl(2-phenylethyl)carbamoyl]phenyl}amino)-2-oxoethyl]phenyl}-4-piperidinecarboxamide

  • Molecular FormulaC35H40N4O4
  • Average mass580.716 Da
  • Monoisotopic mass580.304932 Da
  • ChemSpider ID28495627

More details:

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

1-(Cyclobutylcarbonyl)-N-{4-[2-({4-[methyl(2-phenylethyl)carbamoyl]phenyl}amino)-2-oxoethyl]phenyl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-(Cyclobutylcarbonyl)-N-{4-[2-({4-[methyl(2-phenylethyl)carbamoyl]phenyl}amino)-2-oxoethyl]phenyl}-4-piperidinecarboxamide [ACD/IUPAC Name]
1-(Cyclobutylcarbonyl)-N-{4-[2-({4-[méthyl(2-phényléthyl)carbamoyl]phényl}amino)-2-oxoéthyl]phényl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-(cyclobutylcarbonyl)-N-[4-[2-[[4-[[methyl(2-phenylethyl)amino]carbonyl]phenyl]amino]-2-oxoethyl]phenyl]- [ACD/Index Name]
1-(cyclobutanecarbonyl)-N-[4-[2-keto-2-[4-[methyl(phenethyl)carbamoyl]anilino]ethyl]phenyl]isonipecotamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 892.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 493.3±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 167.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 695.61
ACD/KOC (pH 5.5): 3768.49
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 695.62
ACD/KOC (pH 7.4): 3768.52
Polar Surface Area: 99 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 460.7±3.0 cm3

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