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

• ChemBase ID: 185308
• Molecular Formular: C19H29NO3
• Molecular Mass: 319.43846
• Monoisotopic Mass: 319.21474379
• SMILES: N(C(=O)C)(Cc1ccc(cc1)OC)CCC1CC(OCC1)(C)C
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC1CCOC(C1)(C)C
• InChI: InChI=1S/C19H29NO3/c1-15(21)20(14-17-5-7-18(22-4)8-6-17)11-9-16-10-12-23-19(2,3)13-16/h5-8,16H,9-14H2,1-4H3
• InChIKey: OEFONZDTNCUOMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241218
• PubChem CID: 2877795

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4694188
• LogD (pH = 7.4): 2.4694192
• Log P: 2.4694192
• Molar Refractivity: 92.3636 cm^3
• Polarizability: 36.11137 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Stereoisomers
• Classification: Derivatives & analogs of Natural Compounds