ChemSpider 2D Image | 2-[(6-{[(4-Butylphenyl)amino]methyl}-1-[3-(dimethylamino)propyl]-4-oxo-1,4-dihydro-3-pyridinyl)oxy]-N-[2-(diethylamino)ethyl]acetamide | C29H47N5O3

2-[(6-{[(4-Butylphenyl)amino]methyl}-1-[3-(dimethylamino)propyl]-4-oxo-1,4-dihydro-3-pyridinyl)oxy]-N-[2-(diethylamino)ethyl]acetamide

  • Molecular FormulaC29H47N5O3
  • Average mass513.715 Da
  • Monoisotopic mass513.367920 Da
  • ChemSpider ID123821594

More details:

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

2-[(6-{[(4-Butylphenyl)amino]methyl}-1-[3-(dimethylamino)propyl]-4-oxo-1,4-dihydro-3-pyridinyl)oxy]-N-[2-(diethylamino)ethyl]acetamid [German] [ACD/IUPAC Name]
2-[(6-{[(4-Butylphenyl)amino]methyl}-1-[3-(dimethylamino)propyl]-4-oxo-1,4-dihydro-3-pyridinyl)oxy]-N-[2-(diethylamino)ethyl]acetamide [ACD/IUPAC Name]
2-[(6-{[(4-Butylphényl)amino]méthyl}-1-[3-(diméthylamino)propyl]-4-oxo-1,4-dihydro-3-pyridinyl)oxy]-N-[2-(diéthylamino)éthyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[6-[[(4-butylphenyl)amino]methyl]-1-[3-(dimethylamino)propyl]-1,4-dihydro-4-oxo-3-pyridinyl]oxy]-N-[2-(diethylamino)ethyl]- [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: 694.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.6±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 465.5±5.0 cm3

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