ChemSpider 2D Image | N-(3-{[3-(1-Azepanyl)propyl]amino}-3-oxopropyl)-3,4,5-trimethoxybenzamide | C22H35N3O5

N-(3-{[3-(1-Azepanyl)propyl]amino}-3-oxopropyl)-3,4,5-trimethoxybenzamide

  • Molecular FormulaC22H35N3O5
  • Average mass421.530 Da
  • Monoisotopic mass421.257660 Da
  • ChemSpider ID22473591

More details:

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

Benzamide, N-[3-[[3-(hexahydro-1H-azepin-1-yl)propyl]amino]-3-oxopropyl]-3,4,5-trimethoxy- [ACD/Index Name]
N-(3-{[3-(1-Azepanyl)propyl]amino}-3-oxopropyl)-3,4,5-trimethoxybenzamid [German] [ACD/IUPAC Name]
N-(3-{[3-(1-Azepanyl)propyl]amino}-3-oxopropyl)-3,4,5-trimethoxybenzamide [ACD/IUPAC Name]
N-(3-{[3-(1-Azépanyl)propyl]amino}-3-oxopropyl)-3,4,5-triméthoxybenzamide [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: 593.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.9±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 115.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 89 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 381.5±3.0 cm3

Click to predict properties on the Chemicalize site


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