N-(3-{2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethoxy}phenyl)propanamide

• ChemBase ID: 697200
• Molecular Formular: C18H26N2O4
• Molecular Mass: 334.41004
• Monoisotopic Mass: 334.18925732
• SMILES: N1(C(=O)COc2cc(NC(=O)CC)ccc2)C(CCO)CCCC1
• Canonical SMILES: OCCC1CCCCN1C(=O)COc1cccc(c1)NC(=O)CC
• InChI: InChI=1S/C18H26N2O4/c1-2-17(22)19-14-6-5-8-16(12-14)24-13-18(23)20-10-4-3-7-15(20)9-11-21/h5-6,8,12,15,21H,2-4,7,9-11,13H2,1H3,(H,19,22)
• InChIKey: PLXORIFMYGIDIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethoxy}phenyl)propanamide
• IUPAC Traditional name: N-(3-{2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethoxy}phenyl)propanamide
• Synonyms: N-(3-{2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethoxy}phenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.78808
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1522045
• LogD (pH = 7.4): 1.1522044
• Log P: 1.1522045
• Molar Refractivity: 92.6812 cm^3
• Polarizability: 35.418724 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.72
• LOG S: -3.11
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 7