ChemSpider 2D Image | N-{3,5-Dimethoxy-4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]cyclobutanecarboxamide | C27H41N3O5

N-{3,5-Dimethoxy-4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]cyclobutanecarboxamide

  • Molecular FormulaC27H41N3O5
  • Average mass487.632 Da
  • Monoisotopic mass487.304626 Da
  • ChemSpider ID23037970

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Cyclobutanecarboxamide, N-[[3,5-dimethoxy-4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]phenyl]methyl]-N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]- [ACD/Index Name]
N-{3,5-Dimethoxy-4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]cyclobutancarboxamid [German] [ACD/IUPAC Name]
N-{3,5-Dimethoxy-4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]cyclobutanecarboxamide [ACD/IUPAC Name]
N-{3,5-Diméthoxy-4-[2-(1-méthyl-2-pyrrolidinyl)éthoxy]benzyl}-N-[(3S)-2-oxo-3-azépanyl]cyclobutanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 679.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 364.9±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 408.6±5.0 cm3

Click to predict properties on the Chemicalize site


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