2-[(furan-3-ylmethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

• ChemBase ID: 533080
• Molecular Formular: C16H20N2O3
• Molecular Mass: 288.3416
• Monoisotopic Mass: 288.14739251
• SMILES: c1(cocc1)CNCC(=O)NCCc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CCNC(=O)CNCc1ccoc1
• InChI: InChI=1S/C16H20N2O3/c1-20-15-5-3-2-4-14(15)6-8-18-16(19)11-17-10-13-7-9-21-12-13/h2-5,7,9,12,17H,6,8,10-11H2,1H3,(H,18,19)
• InChIKey: WIGIKEBSJAXCGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(furan-3-ylmethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
• IUPAC Traditional name: 2-[(furan-3-ylmethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
• Synonyms: 2-[(3-furylmethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Log P: 1.42202
• Molar Refractivity: 80.4537 cm^3
• Polarizability: 31.243176 Å^3
• Polar Surface Area: 63.5 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 15.000714
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6014404
• LogD (pH = 7.4): 1.041993

供应商提供(Chembridge)

• Log P: 1.81
• LOG S: -2.85
• Polar Surface Area: 63.5 Å^2
• Rotatable Bonds: 8
• H Acceptors: 4
• H Donor: 2