ChemSpider 2D Image | (2R)-2-{[2-Amino-6-(2-methylphenyl)-3-quinolinyl]methyl}-N-(cyclohexylmethyl)pentanamide | C29H37N3O

(2R)-2-{[2-Amino-6-(2-methylphenyl)-3-quinolinyl]methyl}-N-(cyclohexylmethyl)pentanamide

  • Molecular FormulaC29H37N3O
  • Average mass443.624 Da
  • Monoisotopic mass443.293671 Da
  • ChemSpider ID26328825

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-{[2-Amino-6-(2-methylphenyl)-3-chinolinyl]methyl}-N-(cyclohexylmethyl)pentanamid [German] [ACD/IUPAC Name]
(2R)-2-{[2-Amino-6-(2-méthylphényl)-3-quinoléinyl]méthyl}-N-(cyclohexylméthyl)pentanamide [French] [ACD/IUPAC Name]
(2R)-2-{[2-Amino-6-(2-methylphenyl)-3-quinolinyl]methyl}-N-(cyclohexylmethyl)pentanamide [ACD/IUPAC Name]
(2r)-2-{[2-Amino-6-(2-Methylphenyl)quinolin-3-Yl]methyl}-N-(Cyclohexylmethyl)pentanamide
3-Quinolinepropanamide, 2-amino-N-(cyclohexylmethyl)-6-(2-methylphenyl)-α-propyl-, (αR)- [ACD/Index Name]
RVI

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

Density: 1.1±0.1 g/cm3
Boiling Point: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 17809.39
ACD/KOC (pH 5.5): 25879.35
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 68693.25
ACD/KOC (pH 7.4): 99820.20
Polar Surface Area: 68 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 404.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement