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

• ChemBase ID: 188882
• Molecular Formular: C22H25NO3
• Molecular Mass: 351.4388
• Monoisotopic Mass: 351.18344367
• SMILES: N(C(=O)CC)(Cc1occc1)CCC(c1occc1)c1ccc(cc1)C
• Canonical SMILES: CCC(=O)N(Cc1ccco1)CCC(c1ccco1)c1ccc(cc1)C
• InChI: InChI=1S/C22H25NO3/c1-3-22(24)23(16-19-6-4-14-25-19)13-12-20(21-7-5-15-26-21)18-10-8-17(2)9-11-18/h4-11,14-15,20H,3,12-13,16H2,1-2H3
• InChIKey: RWTVLMQWYJEIDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244792
• PubChem CID: 2929761

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2765594
• LogD (pH = 7.4): 4.27656
• Log P: 4.27656
• Molar Refractivity: 102.011 cm^3
• Polarizability: 39.100616 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