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

• ChemBase ID: 193841
• Molecular Formular: C26H35NO2
• Molecular Mass: 393.5616
• Monoisotopic Mass: 393.26677937
• SMILES: C1(CC(OCC1)C(C)C)(c1ccc(cc1)C)CCN(C(=O)C)Cc1ccccc1
• Canonical SMILES: CC(C1OCCC(C1)(CCN(C(=O)C)Cc1ccccc1)c1ccc(cc1)C)C
• InChI: InChI=1S/C26H35NO2/c1-20(2)25-18-26(15-17-29-25,24-12-10-21(3)11-13-24)14-16-27(22(4)28)19-23-8-6-5-7-9-23/h5-13,20,25H,14-19H2,1-4H3
• InChIKey: FSQKFCVEZTZXQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249751
• PubChem CID: 3824439

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.181281
• LogD (pH = 7.4): 5.1812816
• Log P: 5.1812816
• Molar Refractivity: 119.8691 cm^3
• Polarizability: 46.83111 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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