N-(2,2-dimethyloxan-4-yl)-N-{4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl}acetamide

• ChemBase ID: 222195
• Molecular Formular: C24H39NO3
• Molecular Mass: 389.57136
• Monoisotopic Mass: 389.29299411
• SMILES: N(C1CC(OCC1)(C)C)(C(=O)C)CCC(c1ccc(OC(C)C)cc1)C(C)C
• Canonical SMILES: CC(Oc1ccc(cc1)C(C(C)C)CCN(C1CCOC(C1)(C)C)C(=O)C)C
• InChI: InChI=1S/C24H39NO3/c1-17(2)23(20-8-10-22(11-9-20)28-18(3)4)12-14-25(19(5)26)21-13-15-27-24(6,7)16-21/h8-11,17-18,21,23H,12-16H2,1-7H3
• InChIKey: XXRZDOMTMCEMDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-N-{4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl}acetamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-N-[3-(4-isopropoxyphenyl)-4-methylpentyl]acetamide

Database IDs

• PubChem SID: 164278105
• PubChem CID: 42648971

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.167419
• LogD (pH = 7.4): 4.1674232
• Log P: 4.1674232
• Molar Refractivity: 115.0892 cm^3
• Polarizability: 45.32777 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