Found 1 result

Search term: C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)N[C@@H]1CCOC(C)(C)C1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2r)-3-[2-Amino-6-(2-Methylphenyl)quinolin-3-Yl]-N-[(4r)-2,2-Dimethyltetrahydro-2h-Pyran-4-Yl]-2-Methylpropanamide | C27H33N3O2

(2r)-3-[2-Amino-6-(2-Methylphenyl)quinolin-3-Yl]-N-[(4r)-2,2-Dimethyltetrahydro-2h-Pyran-4-Yl]-2-Methylpropanamide

  • Molecular FormulaC27H33N3O2
  • Average mass431.570 Da
  • Monoisotopic mass431.257263 Da
  • ChemSpider ID26325547

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2r)-3-[2-Amino-6-(2-Methylphenyl)quinolin-3-Yl]-N-[(4r)-2,2-Dimethyltetrahydro-2h-Pyran-4-Yl]-2-Methylpropanamide
(2R)-3-[2-Amino-6-(2-methylphenyl)-3-chinolinyl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamid [German] [ACD/IUPAC Name]
(2R)-3-[2-Amino-6-(2-méthylphényl)-3-quinoléinyl]-N-[(4R)-2,2-diméthyltétrahydro-2H-pyran-4-yl]-2-méthylpropanamide [French] [ACD/IUPAC Name]
(2R)-3-[2-Amino-6-(2-methylphenyl)-3-quinolinyl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide [ACD/IUPAC Name]
3-Quinolinepropanamide, 2-amino-α-methyl-6-(2-methylphenyl)-N-[(4R)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-, (αR)- [ACD/Index Name]
3RS

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

Density: 1.2±0.1 g/cm3
Boiling Point: 647.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.2±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1079.94
ACD/KOC (pH 5.5): 3491.16
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4123.69
ACD/KOC (pH 7.4): 13330.75
Polar Surface Area: 77 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 367.3±5.0 cm3

Click to predict properties on the Chemicalize site


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