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

• ChemBase ID: 202866
• Molecular Formular: C26H43NO4
• Molecular Mass: 433.62392
• Monoisotopic Mass: 433.31920886
• SMILES: N(C(=O)C)(Cc1cc(c(cc1)OC)OC)CCC1(CC(OCC1)C(C)C)CCC(C)C
• Canonical SMILES: COc1ccc(cc1OC)CN(C(=O)C)CCC1(CCOC(C1)C(C)C)CCC(C)C
• InChI: InChI=1S/C26H43NO4/c1-19(2)10-11-26(13-15-31-25(17-26)20(3)4)12-14-27(21(5)28)18-22-8-9-23(29-6)24(16-22)30-7/h8-9,16,19-20,25H,10-15,17-18H2,1-7H3
• InChIKey: KKSMWVZGZWUOSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164258776
• PubChem CID: 3742503

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.8394384
• LogD (pH = 7.4): 4.8394384
• Log P: 4.8394384
• Molar Refractivity: 126.0109 cm^3
• Polarizability: 49.68157 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds