N-(2,2-dimethyloxan-4-yl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

• ChemBase ID: 198308
• Molecular Formular: C20H25NO4
• Molecular Mass: 343.4168
• Monoisotopic Mass: 343.17835829
• SMILES: C(=O)(N(C1CC(OCC1)(C)C)Cc1ccc(cc1)OC)c1occc1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1ccco1)C1CCOC(C1)(C)C
• InChI: InChI=1S/C20H25NO4/c1-20(2)13-16(10-12-25-20)21(19(22)18-5-4-11-24-18)14-15-6-8-17(23-3)9-7-15/h4-9,11,16H,10,12-14H2,1-3H3
• InChIKey: RCKWQXPTWCDSSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

Database IDs

• PubChem SID: 164254218
• PubChem CID: 3574394

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5566244
• LogD (pH = 7.4): 2.5566244
• Log P: 2.5566244
• Molar Refractivity: 95.929 cm^3
• Polarizability: 36.843937 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds