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

• ChemBase ID: 191216
• Molecular Formular: C24H27NO3
• Molecular Mass: 377.47608
• Monoisotopic Mass: 377.19909373
• SMILES: C(c1occc1)(c1c(OC)cccc1)CCN(C(=O)CC)Cc1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccccc1)CCC(c1ccccc1OC)c1ccco1
• InChI: InChI=1S/C24H27NO3/c1-3-24(26)25(18-19-10-5-4-6-11-19)16-15-21(23-14-9-17-28-23)20-12-7-8-13-22(20)27-2/h4-14,17,21H,3,15-16,18H2,1-2H3
• InChIKey: YRNZRXCWBOAHNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247126
• PubChem CID: 2939445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.54522
• LogD (pH = 7.4): 4.5452204
• Log P: 4.5452204
• Molar Refractivity: 111.0421 cm^3
• Polarizability: 42.99885 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds