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

• ChemBase ID: 200412
• Molecular Formular: C21H23NO3
• Molecular Mass: 337.41222
• Monoisotopic Mass: 337.1677936
• SMILES: N(C(=O)C)(Cc1occc1)CCC(c1occc1)Cc1ccccc1
• Canonical SMILES: CC(=O)N(Cc1ccco1)CCC(c1ccco1)Cc1ccccc1
• InChI: InChI=1S/C21H23NO3/c1-17(23)22(16-20-9-5-13-24-20)12-11-19(21-10-6-14-25-21)15-18-7-3-2-4-8-18/h2-10,13-14,19H,11-12,15-16H2,1H3
• InChIKey: FEFIQTAHTILAMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256322
• PubChem CID: 2950900

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.507171
• LogD (pH = 7.4): 3.5071712
• Log P: 3.5071712
• Molar Refractivity: 96.9439 cm^3
• Polarizability: 37.26165 Å^3
• Polar Surface Area: 46.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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