N-[3-(furan-2-yl)-4-phenylbutyl]-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase ID: 199605
• Molecular Formular: C24H27NO3
• Molecular Mass: 377.47608
• Monoisotopic Mass: 377.19909373
• SMILES: N(C(=O)C)(Cc1ccc(cc1)OC)CCC(c1occc1)Cc1ccccc1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(c1ccco1)Cc1ccccc1
• InChI: InChI=1S/C24H27NO3/c1-19(26)25(18-21-10-12-23(27-2)13-11-21)15-14-22(24-9-6-16-28-24)17-20-7-4-3-5-8-20/h3-13,16,22H,14-15,17-18H2,1-2H3
• InChIKey: AIFUSGRWVHLYES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164255515
• PubChem CID: 2927799

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2892528
• LogD (pH = 7.4): 4.289253
• Log P: 4.289253
• Molar Refractivity: 111.0162 cm^3
• Polarizability: 42.92322 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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