N-[2-(4-ethoxyphenyl)ethyl]-2-(morpholin-3-yl)acetamide

• ChemBase ID: 370299
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: C(=O)(CC1NCCOC1)NCCc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CCNC(=O)CC1COCCN1
• InChI: InChI=1S/C16H24N2O3/c1-2-21-15-5-3-13(4-6-15)7-8-18-16(19)11-14-12-20-10-9-17-14/h3-6,14,17H,2,7-12H2,1H3,(H,18,19)
• InChIKey: DNNBPCXHRBIAJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-ethoxyphenyl)ethyl]-2-(morpholin-3-yl)acetamide
• IUPAC Traditional name: N-[2-(4-ethoxyphenyl)ethyl]-2-(morpholin-3-yl)acetamide
• Synonyms: N-[2-(4-ethoxyphenyl)ethyl]-2-morpholin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.746218
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.296552
• LogD (pH = 7.4): 0.42001572
• Log P: 0.99238867
• Molar Refractivity: 81.5204 cm^3
• Polarizability: 32.11739 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: 0.47
• LOG S: -1.73
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 7