ChemSpider 2D Image | N-[(3s,5s,7s)-Adamantan-1-yl]-6-isopropyl-4-oxo-1-pentyl-1,4-dihydro-3-quinolinecarboxamide | C28H38N2O2

N-[(3s,5s,7s)-Adamantan-1-yl]-6-isopropyl-4-oxo-1-pentyl-1,4-dihydro-3-quinolinecarboxamide

  • Molecular FormulaC28H38N2O2
  • Average mass434.613 Da
  • Monoisotopic mass434.293335 Da
  • ChemSpider ID35513480
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3-Quinolinecarboxamide, 1,4-dihydro-6-(1-methylethyl)-4-oxo-1-pentyl-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-6-isopropyl-4-oxo-1-pentyl-1,4-dihydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-6-isopropyl-4-oxo-1-pentyl-1,4-dihydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-6-isopropyl-4-oxo-1-pentyl-1,4-dihydro-3-quinolinecarboxamide [ACD/IUPAC Name]
1048038-90-9 [RN]
MFCD16618388
N-(1-adamantyl)-6-isopropyl-4-oxo-1-pentyl-quinoline-3-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.1±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 127.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22943.45
ACD/KOC (pH 5.5): 46017.33
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22947.02
ACD/KOC (pH 7.4): 46024.51
Polar Surface Area: 49 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 376.4±5.0 cm3

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