ChemSpider 2D Image | 4-(3-[Butyl(ethyl)amino]-2-{[3-(4-fluoro-3-methylphenyl)-4-methylpentanoyl]amino}-3-oxopropyl)phenyl acetate | C30H41FN2O4

4-(3-[Butyl(ethyl)amino]-2-{[3-(4-fluoro-3-methylphenyl)-4-methylpentanoyl]amino}-3-oxopropyl)phenyl acetate

  • Molecular FormulaC30H41FN2O4
  • Average mass512.656 Da
  • Monoisotopic mass512.305054 Da
  • ChemSpider ID121665558

More details:

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

4-(3-[Butyl(ethyl)amino]-2-{[3-(4-fluor-3-methylphenyl)-4-methylpentanoyl]amino}-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
4-(3-[Butyl(ethyl)amino]-2-{[3-(4-fluoro-3-methylphenyl)-4-methylpentanoyl]amino}-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
Acétate de 4-(3-[butyl(éthyl)amino]-2-{[3-(4-fluoro-3-méthylphényl)-4-méthylpentanoyl]amino}-3-oxopropyl)phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-(butylethylamino)-2-oxoethyl]-4-fluoro-3-methyl-β-(1-methylethyl)- [ACD/Index 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: 670.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 144.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9650.99
ACD/KOC (pH 5.5): 24759.73
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9650.99
ACD/KOC (pH 7.4): 24759.76
Polar Surface Area: 76 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 467.5±3.0 cm3

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