N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

• ChemBase ID: 191164
• Molecular Formular: C27H27NO5
• Molecular Mass: 445.50698
• Monoisotopic Mass: 445.18892297
• SMILES: C(=O)(N(CCC(c1occc1)c1c(OC)cccc1)Cc1ccc(cc1)OC)c1occc1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1ccco1)CCC(c1ccccc1OC)c1ccco1
• InChI: InChI=1S/C27H27NO5/c1-30-21-13-11-20(12-14-21)19-28(27(29)26-10-6-18-33-26)16-15-23(25-9-5-17-32-25)22-7-3-4-8-24(22)31-2/h3-14,17-18,23H,15-16,19H2,1-2H3
• InChIKey: BSTNPWDDTFDFKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

Database IDs

• PubChem SID: 164247074
• PubChem CID: 2939652

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.601434
• LogD (pH = 7.4): 4.601434
• Log P: 4.601434
• Molar Refractivity: 125.9398 cm^3
• Polarizability: 48.074284 Å^3
• Polar Surface Area: 65.05 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds