N-(4-methoxyphenyl)-2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]acetamide

• ChemBase ID: 194061
• Molecular Formular: C24H31NO4
• Molecular Mass: 397.50724
• Monoisotopic Mass: 397.22530848
• SMILES: C1(c2c(OC)cccc2)(CC(OCC1)C(C)C)CC(=O)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)CC1(CCOC(C1)C(C)C)c1ccccc1OC
• InChI: InChI=1S/C24H31NO4/c1-17(2)22-15-24(13-14-29-22,20-7-5-6-8-21(20)28-4)16-23(26)25-18-9-11-19(27-3)12-10-18/h5-12,17,22H,13-16H2,1-4H3,(H,25,26)
• InChIKey: IVYTXXQCTQTSQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]acetamide
• IUPAC Traditional name: 2-[2-isopropyl-4-(2-methoxyphenyl)oxan-4-yl]-N-(4-methoxyphenyl)acetamide

Database IDs

• PubChem SID: 164249971
• PubChem CID: 4219143

CALCULATED PROPERTIES

• Acid pKa: 14.741067
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.243142
• LogD (pH = 7.4): 4.243142
• Log P: 4.243142
• Molar Refractivity: 115.1577 cm^3
• Polarizability: 44.53027 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds