N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase ID: 185450
• Molecular Formular: C26H35NO3
• Molecular Mass: 409.561
• Monoisotopic Mass: 409.26169399
• SMILES: N(C(=O)C)(CCC(C1CC(OCC1)(C)C)c1ccccc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(c1ccccc1)C1CCOC(C1)(C)C
• InChI: InChI=1S/C26H35NO3/c1-20(28)27(19-21-10-12-24(29-4)13-11-21)16-14-25(22-8-6-5-7-9-22)23-15-17-30-26(2,3)18-23/h5-13,23,25H,14-19H2,1-4H3
• InChIKey: RRHDZAPINIYECO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]acetamide

Database IDs

• PubChem SID: 164241360
• PubChem CID: 2877800

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3348103
• LogD (pH = 7.4): 4.3348107
• Log P: 4.3348107
• Molar Refractivity: 121.6082 cm^3
• Polarizability: 47.56229 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