N,N-diethyl-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide

• ChemBase ID: 191994
• Molecular Formular: C18H23NO3
• Molecular Mass: 301.38012
• Monoisotopic Mass: 301.1677936
• SMILES: C(CC(=O)N(CC)CC)(c1occc1)c1c(OC)cccc1
• Canonical SMILES: CCN(C(=O)CC(c1ccccc1OC)c1ccco1)CC
• InChI: InChI=1S/C18H23NO3/c1-4-19(5-2)18(20)13-15(17-11-8-12-22-17)14-9-6-7-10-16(14)21-3/h6-12,15H,4-5,13H2,1-3H3
• InChIKey: XDLXZJAOALFEPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
• IUPAC Traditional name: N,N-diethyl-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide

Database IDs

• PubChem SID: 164247904
• PubChem CID: 3715778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6550326
• LogD (pH = 7.4): 2.6550329
• Log P: 2.6550329
• Molar Refractivity: 86.6541 cm^3
• Polarizability: 33.39701 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds