N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide

• ChemBase ID: 189411
• Molecular Formular: C25H29NO5
• Molecular Mass: 423.50146
• Monoisotopic Mass: 423.20457303
• SMILES: C(c1occc1)(c1c(OC)cccc1)CCN(C(=O)C)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)CN(C(=O)C)CCC(c1ccccc1OC)c1ccco1
• InChI: InChI=1S/C25H29NO5/c1-18(27)26(17-19-11-12-24(29-3)25(16-19)30-4)14-13-21(23-10-7-15-31-23)20-8-5-6-9-22(20)28-2/h5-12,15-16,21H,13-14,17H2,1-4H3
• InChIKey: QPOWWZXKTJOZBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide

Database IDs

• PubChem SID: 164245321
• PubChem CID: 2938865

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5293417
• LogD (pH = 7.4): 3.5293422
• Log P: 3.5293422
• Molar Refractivity: 119.3416 cm^3
• Polarizability: 46.185505 Å^3
• Polar Surface Area: 61.14 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds