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

• ChemBase ID: 199893
• Molecular Formular: C21H23NO3
• Molecular Mass: 337.41222
• Monoisotopic Mass: 337.1677936
• SMILES: N(C(=O)CC)(Cc1occc1)CCC(c1occc1)c1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccco1)CCC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C21H23NO3/c1-2-21(23)22(16-18-10-6-14-24-18)13-12-19(20-11-7-15-25-20)17-8-4-3-5-9-17/h3-11,14-15,19H,2,12-13,16H2,1H3
• InChIKey: FUHPFSQPUSQHGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164255803
• PubChem CID: 3746317

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7631378
• LogD (pH = 7.4): 3.7631383
• Log P: 3.7631383
• Molar Refractivity: 96.9698 cm^3
• Polarizability: 37.336105 Å^3
• Polar Surface Area: 46.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds