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

• ChemBase ID: 200553
• Molecular Formular: C25H29NO4
• Molecular Mass: 407.50206
• Monoisotopic Mass: 407.20965841
• SMILES: C(c1occc1)(c1c(OC)cccc1)CCN(C(=O)CC)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)CCC(c1ccccc1OC)c1ccco1
• InChI: InChI=1S/C25H29NO4/c1-4-25(27)26(18-19-11-13-20(28-2)14-12-19)16-15-22(24-10-7-17-30-24)21-8-5-6-9-23(21)29-3/h5-14,17,22H,4,15-16,18H2,1-3H3
• InChIKey: LKHJEOQXGPJDQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256463
• PubChem CID: 4317364

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3875484
• LogD (pH = 7.4): 4.3875494
• Log P: 4.3875494
• Molar Refractivity: 117.5053 cm^3
• Polarizability: 45.507812 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds