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

• ChemBase ID: 191997
• Molecular Formular: C24H27NO3
• Molecular Mass: 377.47608
• Monoisotopic Mass: 377.19909373
• SMILES: N(C(=O)C)(Cc1occc1)CCC(c1ccc(cc1)OC)Cc1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(Cc1ccccc1)CCN(C(=O)C)Cc1ccco1
• InChI: InChI=1S/C24H27NO3/c1-19(26)25(18-24-9-6-16-28-24)15-14-22(17-20-7-4-3-5-8-20)21-10-12-23(27-2)13-11-21/h3-13,16,22H,14-15,17-18H2,1-2H3
• InChIKey: QCYHDYVUBLFVGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247907
• PubChem CID: 3800978

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3672066
• LogD (pH = 7.4): 4.367207
• Log P: 4.367207
• Molar Refractivity: 110.9392 cm^3
• Polarizability: 42.923744 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