N-(2-methoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

• ChemBase ID: 220470
• Molecular Formular: C20H23NO4
• Molecular Mass: 341.40092
• Monoisotopic Mass: 341.16270822
• SMILES: C(=O)(C1(c2ccc(cc2)OC)CCOCC1)Nc1c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)C1(CCOCC1)C(=O)Nc1ccccc1OC
• InChI: InChI=1S/C20H23NO4/c1-23-16-9-7-15(8-10-16)20(11-13-25-14-12-20)19(22)21-17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3,(H,21,22)
• InChIKey: ONSKIWOJEJVXPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
• IUPAC Traditional name: N-(2-methoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

Database IDs

• PubChem SID: 164276380
• PubChem CID: 899525

CALCULATED PROPERTIES

• Acid pKa: 12.126912
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0064375
• LogD (pH = 7.4): 3.00643
• Log P: 3.0064378
• Molar Refractivity: 97.1941 cm^3
• Polarizability: 37.164955 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds