ChemSpider 2D Image | 3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-N-{1-[2-oxo-2-(propylamino)ethyl]-4-piperidinyl}propanamide | C27H45N3O3

3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-N-{1-[2-oxo-2-(propylamino)ethyl]-4-piperidinyl}propanamide

  • Molecular FormulaC27H45N3O3
  • Average mass459.664 Da
  • Monoisotopic mass459.346100 Da
  • ChemSpider ID33368897

More details:

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

1-Piperidineacetamide, 4-[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]amino]-N-propyl- [ACD/Index Name]
3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-N-{1-[2-oxo-2-(propylamino)ethyl]-4-piperidinyl}propanamid [German] [ACD/IUPAC Name]
3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-N-{1-[2-oxo-2-(propylamino)ethyl]-4-piperidinyl}propanamide [ACD/IUPAC Name]
3-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]-N-{1-[2-oxo-2-(propylamino)éthyl]-4-pipéridinyl}propanamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 332.5±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 567.49
ACD/KOC (pH 5.5): 2358.97
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1720.71
ACD/KOC (pH 7.4): 7152.69
Polar Surface Area: 82 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 426.3±5.0 cm3

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