N-(furan-2-ylmethyl)-N-{2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}acetamide

• ChemBase ID: 222358
• Molecular Formular: C23H31NO4
• Molecular Mass: 385.49654
• Monoisotopic Mass: 385.22530848
• SMILES: C1(c2ccc(cc2)OC)(CC(OCC1)(C)C)CCN(C(=O)C)Cc1occc1
• Canonical SMILES: COc1ccc(cc1)C1(CCOC(C1)(C)C)CCN(C(=O)C)Cc1ccco1
• InChI: InChI=1S/C23H31NO4/c1-18(25)24(16-21-6-5-14-27-21)13-11-23(12-15-28-22(2,3)17-23)19-7-9-20(26-4)10-8-19/h5-10,14H,11-13,15-17H2,1-4H3
• InChIKey: ZCAXDZYYPZXIJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-{2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-{2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}acetamide

Database IDs

• PubChem SID: 164278268
• PubChem CID: 42649001

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9635165
• LogD (pH = 7.4): 2.963517
• Log P: 2.963517
• Molar Refractivity: 109.3246 cm^3
• Polarizability: 42.569668 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds