N-benzyl-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide

• ChemBase ID: 190699
• Molecular Formular: C23H25NO3
• Molecular Mass: 363.4495
• Monoisotopic Mass: 363.18344367
• SMILES: C(c1occc1)(c1c(OC)cccc1)CCN(C(=O)C)Cc1ccccc1
• Canonical SMILES: COc1ccccc1C(c1ccco1)CCN(C(=O)C)Cc1ccccc1
• InChI: InChI=1S/C23H25NO3/c1-18(25)24(17-19-9-4-3-5-10-19)15-14-21(23-13-8-16-27-23)20-11-6-7-12-22(20)26-2/h3-13,16,21H,14-15,17H2,1-2H3
• InChIKey: LTDRKXAONKOYBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
• IUPAC Traditional name: N-benzyl-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide

Database IDs

• PubChem SID: 164246609
• PubChem CID: 2938128

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8446844
• LogD (pH = 7.4): 3.8446846
• Log P: 3.8446846
• Molar Refractivity: 106.4152 cm^3
• Polarizability: 41.154858 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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