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

• ChemBase ID: 200445
• Molecular Formular: C22H25NO3
• Molecular Mass: 351.4388
• Monoisotopic Mass: 351.18344367
• SMILES: N(C(=O)CC)(Cc1occc1)CCC(c1occc1)Cc1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccco1)CCC(c1ccco1)Cc1ccccc1
• InChI: InChI=1S/C22H25NO3/c1-2-22(24)23(17-20-10-6-14-25-20)13-12-19(21-11-7-15-26-21)16-18-8-4-3-5-9-18/h3-11,14-15,19H,2,12-13,16-17H2,1H3
• InChIKey: OWDIDYHPPQNBSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256355
• PubChem CID: 2928234

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2077065
• LogD (pH = 7.4): 4.207707
• Log P: 4.207707
• Molar Refractivity: 101.5708 cm^3
• Polarizability: 39.103706 Å^3
• Polar Surface Area: 46.59 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds