3-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)propanamide

• ChemBase ID: 498517
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: C(=O)(N(Cc1c2c(nccc2)ccc1)C)CCOCC
• Canonical SMILES: CCOCCC(=O)N(Cc1cccc2c1cccn2)C
• InChI: InChI=1S/C16H20N2O2/c1-3-20-11-9-16(19)18(2)12-13-6-4-8-15-14(13)7-5-10-17-15/h4-8,10H,3,9,11-12H2,1-2H3
• InChIKey: OPSNMMCKMNHPQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)propanamide
• IUPAC Traditional name: 3-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)propanamide
• Synonyms: 3-ethoxy-N-methyl-N-(5-quinolinylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7008055
• LogD (pH = 7.4): 1.7186579
• Log P: 1.7188907
• Molar Refractivity: 78.6946 cm^3
• Polarizability: 31.746183 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.44
• LOG S: -2.42
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6