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

• ChemBase ID: 194383
• Molecular Formular: C24H33NO3
• Molecular Mass: 383.52372
• Monoisotopic Mass: 383.24604392
• SMILES: C1(CC(OCC1)C(C)C)(c1ccc(cc1)C)CCN(C(=O)C)Cc1occc1
• Canonical SMILES: CC(C1OCCC(C1)(CCN(C(=O)C)Cc1ccco1)c1ccc(cc1)C)C
• InChI: InChI=1S/C24H33NO3/c1-18(2)23-16-24(12-15-28-23,21-9-7-19(3)8-10-21)11-13-25(20(4)26)17-22-6-5-14-27-22/h5-10,14,18,23H,11-13,15-17H2,1-4H3
• InChIKey: QZAKTTPJCPDBEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250293
• PubChem CID: 2965337

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2415276
• LogD (pH = 7.4): 4.241528
• Log P: 4.241528
• Molar Refractivity: 112.26 cm^3
• Polarizability: 43.660122 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds