N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-(1-methylpiperidin-3-yl)propanamide

• ChemBase ID: 767591
• Molecular Formular: C20H32N2O3
• Molecular Mass: 348.47968
• Monoisotopic Mass: 348.24129289
• SMILES: C(=O)(N(CCOc1ccc(cc1)OC)CC)CCC1CN(CCC1)C
• Canonical SMILES: CCN(C(=O)CCC1CCCN(C1)C)CCOc1ccc(cc1)OC
• InChI: InChI=1S/C20H32N2O3/c1-4-22(14-15-25-19-10-8-18(24-3)9-11-19)20(23)12-7-17-6-5-13-21(2)16-17/h8-11,17H,4-7,12-16H2,1-3H3
• InChIKey: RNNYADYWCLOSIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
• IUPAC Traditional name: N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
• Synonyms: N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-(1-methylpiperidin-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.78568083
• LogD (pH = 7.4): 0.76338303
• Log P: 2.4579997
• Molar Refractivity: 100.8487 cm^3
• Polarizability: 39.46744 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.21
• LOG S: -4.48
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 9