N-(furan-2-carbonyl)-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide

• ChemBase ID: 201776
• Molecular Formular: C23H19NO5
• Molecular Mass: 389.40066
• Monoisotopic Mass: 389.12632271
• SMILES: N(C(=O)c1occc1)(C(=O)c1occc1)CCC(c1occc1)c1ccccc1
• Canonical SMILES: O=C(N(C(=O)c1ccco1)CCC(c1ccco1)c1ccccc1)c1ccco1
• InChI: InChI=1S/C23H19NO5/c25-22(20-10-5-15-28-20)24(23(26)21-11-6-16-29-21)13-12-18(19-9-4-14-27-19)17-7-2-1-3-8-17/h1-11,14-16,18H,12-13H2
• InChIKey: ZKOJDKQBJDQLME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257686
• PubChem CID: 3771527

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8716571
• LogD (pH = 7.4): 3.8716571
• Log P: 3.8716571
• Molar Refractivity: 106.1314 cm^3
• Polarizability: 39.798714 Å^3
• Polar Surface Area: 76.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds