2-(2,3-dihydro-1-benzofuran-6-yl)-N-[3-(morpholin-4-yl)propyl]acetamide

• ChemBase ID: 227675
• Molecular Formular: C17H24N2O3
• Molecular Mass: 304.38406
• Monoisotopic Mass: 304.17869264
• SMILES: c12OCCc2ccc(c1)CC(=O)NCCCN1CCOCC1
• Canonical SMILES: O=C(Cc1ccc2c(c1)OCC2)NCCCN1CCOCC1
• InChI: InChI=1S/C17H24N2O3/c20-17(18-5-1-6-19-7-10-21-11-8-19)13-14-2-3-15-4-9-22-16(15)12-14/h2-3,12H,1,4-11,13H2,(H,18,20)
• InChIKey: CZDWSUGBMBMTLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1-benzofuran-6-yl)-N-[3-(morpholin-4-yl)propyl]acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1-benzofuran-6-yl)-N-[3-(morpholin-4-yl)propyl]acetamide

Database IDs

• PubChem SID: 164283585
• PubChem CID: 71754798

CALCULATED PROPERTIES

• Acid pKa: 15.65018
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7431151
• LogD (pH = 7.4): 0.6233869
• Log P: 0.7700486
• Molar Refractivity: 85.8163 cm^3
• Polarizability: 33.15236 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds