ChemSpider 2D Image | 2-(3,4-Dihydro-2(1H)-isoquinolinyl)-N-(3-methoxypropyl)-5-(tetradecanoylamino)benzamide | C34H51N3O3

2-(3,4-Dihydro-2(1H)-isoquinolinyl)-N-(3-methoxypropyl)-5-(tetradecanoylamino)benzamide

  • Molecular FormulaC34H51N3O3
  • Average mass549.787 Da
  • Monoisotopic mass549.393066 Da
  • ChemSpider ID22593289

More details:

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

2-(3,4-Dihydro-2(1H)-isochinolinyl)-N-(3-methoxypropyl)-5-(tetradecanoylamino)benzamid [German] [ACD/IUPAC Name]
2-(3,4-Dihydro-2(1H)-isoquinoléinyl)-N-(3-méthoxypropyl)-5-(tetradecanoylamino)benzamide [French] [ACD/IUPAC Name]
2-(3,4-Dihydro-2(1H)-isoquinolinyl)-N-(3-methoxypropyl)-5-(tetradecanoylamino)benzamide [ACD/IUPAC Name]
Benzamide, 2-(3,4-dihydro-2(1H)-isoquinolinyl)-N-(3-methoxypropyl)-5-[(1-oxotetradecyl)amino]- [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: 722.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.6±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 165.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 8.15
ACD/LogD (pH 5.5): 8.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1643868.38
ACD/LogD (pH 7.4): 9.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2007635.13
Polar Surface Area: 71 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 518.9±3.0 cm3

Click to predict properties on the Chemicalize site


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