2-{4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl}acetamide

• ChemBase ID: 500094
• Molecular Formular: C18H20N2O5
• Molecular Mass: 344.3618
• Monoisotopic Mass: 344.13722175
• SMILES: C(=O)(N1C(CC(=O)N)COCC1)c1oc(cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1ccc(o1)C(=O)N1CCOCC1CC(=O)N
• InChI: InChI=1S/C18H20N2O5/c1-23-14-4-2-12(3-5-14)15-6-7-16(25-15)18(22)20-8-9-24-11-13(20)10-17(19)21/h2-7,13H,8-11H2,1H3,(H2,19,21)
• InChIKey: AYVLGNXTXUPZIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl}acetamide
• IUPAC Traditional name: 2-{4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl}acetamide
• Synonyms: 2-{4-[5-(4-methoxyphenyl)-2-furoyl]-3-morpholinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.612727
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.49036014
• LogD (pH = 7.4): 0.49036017
• Log P: 0.49036014
• Molar Refractivity: 90.1485 cm^3
• Polarizability: 35.742603 Å^3
• Polar Surface Area: 95.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.33
• LOG S: -3.3
• Polar Surface Area: 95.0 Å^2
• Rotatable Bonds: 5