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

• ChemBase ID: 199762
• Molecular Formular: C23H37NO3
• Molecular Mass: 375.54478
• Monoisotopic Mass: 375.27734405
• SMILES: N(C(=O)C)(CCC(C1CC(OCC1)(C)C)C(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(C1CCOC(C1)(C)C)C(C)C
• InChI: InChI=1S/C23H37NO3/c1-17(2)22(20-12-14-27-23(4,5)15-20)11-13-24(18(3)25)16-19-7-9-21(26-6)10-8-19/h7-10,17,20,22H,11-16H2,1-6H3
• InChIKey: SIEFQYYABPFRTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164255672
• PubChem CID: 3607764

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9325943
• LogD (pH = 7.4): 3.9325945
• Log P: 3.9325945
• Molar Refractivity: 110.6628 cm^3
• Polarizability: 43.48273 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