N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase ID: 203226
• Molecular Formular: C24H39NO3
• Molecular Mass: 389.57136
• Monoisotopic Mass: 389.29299411
• SMILES: N(C(=O)C)(Cc1ccc(cc1)OC)CCC1(CC(OCC1)(C)C)CCC(C)C
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC1(CCOC(C1)(C)C)CCC(C)C
• InChI: InChI=1S/C24H39NO3/c1-19(2)11-12-24(14-16-28-23(4,5)18-24)13-15-25(20(3)26)17-21-7-9-22(27-6)10-8-21/h7-10,19H,11-18H2,1-6H3
• InChIKey: UZNPFBXZVWMUPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]acetamide

Database IDs

• PubChem SID: 164259136
• PubChem CID: 3761760

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.390191
• LogD (pH = 7.4): 4.3901916
• Log P: 4.3901916
• Molar Refractivity: 115.1903 cm^3
• Polarizability: 45.326355 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds