N-{[3-(benzyloxy)phenyl]methyl}-2-(morpholin-2-yl)acetamide

• ChemBase ID: 497468
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C(=O)(CC1OCCNC1)NCc1cc(OCc2ccccc2)ccc1
• Canonical SMILES: O=C(CC1CNCCO1)NCc1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C20H24N2O3/c23-20(12-19-14-21-9-10-24-19)22-13-17-7-4-8-18(11-17)25-15-16-5-2-1-3-6-16/h1-8,11,19,21H,9-10,12-15H2,(H,22,23)
• InChIKey: DKCBXZGJQVINPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(benzyloxy)phenyl]methyl}-2-(morpholin-2-yl)acetamide
• IUPAC Traditional name: N-{[3-(benzyloxy)phenyl]methyl}-2-(morpholin-2-yl)acetamide
• Synonyms: N-[3-(benzyloxy)benzyl]-2-morpholin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.439449
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.69530797
• LogD (pH = 7.4): 0.99352014
• Log P: 2.0713925
• Molar Refractivity: 96.6294 cm^3
• Polarizability: 38.021427 Å^3
• Polar Surface Area: 59.59 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: 1.21
• LOG S: -2.72
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 7