ChemSpider 2D Image | N-Butyl-2-({1-[4-(diethylamino)butyl]-6-({[4-(dimethylamino)phenyl]amino}methyl)-4-oxo-1,4-dihydro-3-pyridinyl}oxy)-N-methylacetamide | C29H47N5O3

N-Butyl-2-({1-[4-(diethylamino)butyl]-6-({[4-(dimethylamino)phenyl]amino}methyl)-4-oxo-1,4-dihydro-3-pyridinyl}oxy)-N-methylacetamide

  • Molecular FormulaC29H47N5O3
  • Average mass513.715 Da
  • Monoisotopic mass513.367920 Da
  • ChemSpider ID123820993

More details:

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

Acetamide, N-butyl-2-[[1-[4-(diethylamino)butyl]-6-[[[4-(dimethylamino)phenyl]amino]methyl]-1,4-dihydro-4-oxo-3-pyridinyl]oxy]-N-methyl- [ACD/Index Name]
N-Butyl-2-({1-[4-(diethylamino)butyl]-6-({[4-(dimethylamino)phenyl]amino}methyl)-4-oxo-1,4-dihydro-3-pyridinyl}oxy)-N-methylacetamid [German] [ACD/IUPAC Name]
N-Butyl-2-({1-[4-(diethylamino)butyl]-6-({[4-(dimethylamino)phenyl]amino}methyl)-4-oxo-1,4-dihydro-3-pyridinyl}oxy)-N-methylacetamide [ACD/IUPAC Name]
N-Butyl-2-({1-[4-(diéthylamino)butyl]-6-({[4-(diméthylamino)phényl]amino}méthyl)-4-oxo-1,4-dihydro-3-pyridinyl}oxy)-N-méthylacétamide [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: 678.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.9±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 68 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 464.4±5.0 cm3

Click to predict properties on the Chemicalize site


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