ChemSpider 2D Image | Isopropyl [(2S,4R)-1-acetyl-2-methyl-6-{4-[(methylamino)methyl]phenyl}-1,2,3,4-tetrahydro-4-quinolinyl]carbamate | C24H31N3O3

Isopropyl [(2S,4R)-1-acetyl-2-methyl-6-{4-[(methylamino)methyl]phenyl}-1,2,3,4-tetrahydro-4-quinolinyl]carbamate

  • Molecular FormulaC24H31N3O3
  • Average mass409.521 Da
  • Monoisotopic mass409.236542 Da
  • ChemSpider ID34224297

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,4R)-1-Acétyl-2-méthyl-6-{4-[(méthylamino)méthyl]phényl}-1,2,3,4-tétrahydro-4-quinoléinyl]carbamate d'isopropyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(2S,4R)-1-acetyl-1,2,3,4-tetrahydro-2-methyl-6-[4-[(methylamino)methyl]phenyl]-4-quinolinyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl [(2S,4R)-1-acetyl-2-methyl-6-{4-[(methylamino)methyl]phenyl}-1,2,3,4-tetrahydro-4-quinolinyl]carbamate [ACD/IUPAC Name]
Isopropyl-[(2S,4R)-1-acetyl-2-methyl-6-{4-[(methylamino)methyl]phenyl}-1,2,3,4-tetrahydro-4-chinolinyl]carbamat [German] [ACD/IUPAC Name]
Propan-2-Yl N-[(2s,4r)-1-Ethanoyl-2-Methyl-6-[4-(Methylaminomethyl)phenyl]-3,4-Dihydro-2h-Quinolin-4-Yl]carbamate
83T

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.3±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 118.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 19.17
Polar Surface Area: 71 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 348.9±5.0 cm3

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