ChemSpider 2D Image | 2-{5-(1-Azepanylcarbonyl)-6-methyl-2-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,3,4-tetrahydro-3-pyridinyl}-N-[3-(dimethylamino)propyl]acetamide | C27H45N5O4

2-{5-(1-Azepanylcarbonyl)-6-methyl-2-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,3,4-tetrahydro-3-pyridinyl}-N-[3-(dimethylamino)propyl]acetamide

  • Molecular FormulaC27H45N5O4
  • Average mass503.677 Da
  • Monoisotopic mass503.347168 Da
  • ChemSpider ID34233146

More details:

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

2-{5-(1-Azepanylcarbonyl)-6-methyl-2-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,3,4-tetrahydro-3-pyridinyl}-N-[3-(dimethylamino)propyl]acetamid [German] [ACD/IUPAC Name]
2-{5-(1-Azepanylcarbonyl)-6-methyl-2-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,3,4-tetrahydro-3-pyridinyl}-N-[3-(dimethylamino)propyl]acetamide [ACD/IUPAC Name]
2-{5-(1-Azépanylcarbonyl)-6-méthyl-2-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2,3,4-tétrahydro-3-pyridinyl}-N-[3-(diméthylamino)propyl]acétamide [French] [ACD/IUPAC Name]
3-Pyridineacetamide, N-[3-(dimethylamino)propyl]-5-[(hexahydro-1H-azepin-1-yl)carbonyl]-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]- [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: 777.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.0±32.9 °C
Index of Refraction: 1.536
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 445.5±3.0 cm3

Click to predict properties on the Chemicalize site


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