ChemSpider 2D Image | N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)-N-(3-methoxypropyl)-1-adamantanecarboxamide | C32H44N2O5S

N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)-N-(3-methoxypropyl)-1-adamantanecarboxamide

  • Molecular FormulaC32H44N2O5S
  • Average mass568.767 Da
  • Monoisotopic mass568.297119 Da
  • ChemSpider ID3172454

More details:

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

N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)-N-(3-methoxypropyl)-1-adamantancarboxamid [German] [ACD/IUPAC Name]
N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)-N-(3-methoxypropyl)-1-adamantanecarboxamide [ACD/IUPAC Name]
N-(2-{[2-(3,4-Diméthoxyphényl)éthyl](2-thiénylméthyl)amino}-2-oxoéthyl)-N-(3-méthoxypropyl)-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-[2-[[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)- [ACD/Index 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: 715.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.2±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 158.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3459.78
ACD/KOC (pH 5.5): 11880.76
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3459.78
ACD/KOC (pH 7.4): 11880.78
Polar Surface Area: 97 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 474.4±3.0 cm3

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