N-methyl-N-(oxan-2-ylmethyl)-2-(2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)acetamide

• ChemBase ID: 404497
• Molecular Formular: C18H24N2O3
• Molecular Mass: 316.39476
• Monoisotopic Mass: 316.17869264
• SMILES: N1(CC(=O)N(CC2OCCCC2)C)C(=O)CCc2c1cccc2
• Canonical SMILES: O=C(N(CC1CCCCO1)C)CN1C(=O)CCc2c1cccc2
• InChI: InChI=1S/C18H24N2O3/c1-19(12-15-7-4-5-11-23-15)18(22)13-20-16-8-3-2-6-14(16)9-10-17(20)21/h2-3,6,8,15H,4-5,7,9-13H2,1H3
• InChIKey: YHWPUHKEAWOXLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxan-2-ylmethyl)-2-(2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)acetamide
• IUPAC Traditional name: N-methyl-N-(oxan-2-ylmethyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
• Synonyms: N-methyl-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)-N-(tetrahydro-2H-pyran-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.292877
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3622354
• LogD (pH = 7.4): 1.3622354
• Log P: 1.3622354
• Molar Refractivity: 87.8577 cm^3
• Polarizability: 34.069992 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.51
• LOG S: -2.8
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4