N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]acetamide

• ChemBase ID: 421642
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: C(=O)(N(Cc1occc1)CCN1CCOCC1)Cc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CC(=O)N(Cc1ccco1)CCN1CCOCC1
• InChI: InChI=1S/C20H26N2O4/c1-24-19-7-3-2-5-17(19)15-20(23)22(16-18-6-4-12-26-18)9-8-21-10-13-25-14-11-21/h2-7,12H,8-11,13-16H2,1H3
• InChIKey: GWZFDJCYXKDVGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]acetamide
• Synonyms: N-(2-furylmethyl)-2-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1254784
• LogD (pH = 7.4): 1.6647369
• Log P: 1.6785961
• Molar Refractivity: 99.5415 cm^3
• Polarizability: 38.57838 Å^3
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.39
• LOG S: -3.85
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 8