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

• ChemBase ID: 194433
• Molecular Formular: C24H33NO4
• Molecular Mass: 399.52312
• Monoisotopic Mass: 399.24095854
• SMILES: C1(c2c(OC)cccc2)(CC(OCC1)C(C)C)CCN(C(=O)C)Cc1occc1
• Canonical SMILES: COc1ccccc1C1(CCOC(C1)C(C)C)CCN(C(=O)C)Cc1ccco1
• InChI: InChI=1S/C24H33NO4/c1-18(2)23-16-24(12-15-29-23,21-9-5-6-10-22(21)27-4)11-13-25(19(3)26)17-20-8-7-14-28-20/h5-10,14,18,23H,11-13,15-17H2,1-4H3
• InChIKey: KPOYUKJSTNRRRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250343
• PubChem CID: 4362145

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.570435
• LogD (pH = 7.4): 3.5704355
• Log P: 3.5704355
• Molar Refractivity: 113.682 cm^3
• Polarizability: 44.410816 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds