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

• ChemBase ID: 194144
• Molecular Formular: C26H35NO3
• Molecular Mass: 409.561
• Monoisotopic Mass: 409.26169399
• SMILES: C1(c2c(OC)cccc2)(CC(OCC1)C(C)C)CCN(C(=O)C)Cc1ccccc1
• Canonical SMILES: COc1ccccc1C1(CCOC(C1)C(C)C)CCN(C(=O)C)Cc1ccccc1
• InChI: InChI=1S/C26H35NO3/c1-20(2)25-18-26(15-17-30-25,23-12-8-9-13-24(23)29-4)14-16-27(21(3)28)19-22-10-6-5-7-11-22/h5-13,20,25H,14-19H2,1-4H3
• InChIKey: QBAQLXNSVGMBMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250054
• PubChem CID: 5182991

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.5101886
• LogD (pH = 7.4): 4.5101886
• Log P: 4.5101886
• Molar Refractivity: 121.2911 cm^3
• Polarizability: 47.56201 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds