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

• ChemBase ID: 220345
• Molecular Formular: C18H25NO4
• Molecular Mass: 319.3954
• Monoisotopic Mass: 319.17835829
• SMILES: C1(C(=O)NCC2OCCC2)(c2ccc(cc2)OC)CCOCC1
• Canonical SMILES: COc1ccc(cc1)C1(CCOCC1)C(=O)NCC1CCCO1
• InChI: InChI=1S/C18H25NO4/c1-21-15-6-4-14(5-7-15)18(8-11-22-12-9-18)17(20)19-13-16-3-2-10-23-16/h4-7,16H,2-3,8-13H2,1H3,(H,19,20)
• InChIKey: BJONZHQKJMCVRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276255
• PubChem CID: 2951554

CALCULATED PROPERTIES

• Acid pKa: 15.357307
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5651295
• LogD (pH = 7.4): 1.5651295
• Log P: 1.5651295
• Molar Refractivity: 87.4272 cm^3
• Polarizability: 34.245453 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