3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(4-methoxyphenyl)propanamide

• ChemBase ID: 189160
• Molecular Formular: C21H21NO4
• Molecular Mass: 351.39574
• Monoisotopic Mass: 351.14705816
• SMILES: C(c1occc1)(c1c(OC)cccc1)CC(=O)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)CC(c1ccccc1OC)c1ccco1
• InChI: InChI=1S/C21H21NO4/c1-24-16-11-9-15(10-12-16)22-21(23)14-18(20-8-5-13-26-20)17-6-3-4-7-19(17)25-2/h3-13,18H,14H2,1-2H3,(H,22,23)
• InChIKey: JWQMYSRHNUTFFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(4-methoxyphenyl)propanamide
• IUPAC Traditional name: 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(4-methoxyphenyl)propanamide

Database IDs

• PubChem SID: 164245070
• PubChem CID: 2930089

CALCULATED PROPERTIES

• Acid pKa: 14.734209
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5776381
• LogD (pH = 7.4): 3.5776381
• Log P: 3.5776381
• Molar Refractivity: 100.2818 cm^3
• Polarizability: 38.131374 Å^3
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds