N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide

• ChemBase ID: 185593
• Molecular Formular: C26H35NO4
• Molecular Mass: 425.5604
• Monoisotopic Mass: 425.25660861
• SMILES: C1(CC(OCC1)(C)C)(CCN(C(=O)C)Cc1cc(c(cc1)OC)OC)c1ccccc1
• Canonical SMILES: COc1cc(ccc1OC)CN(C(=O)C)CCC1(CCOC(C1)(C)C)c1ccccc1
• InChI: InChI=1S/C26H35NO4/c1-20(28)27(18-21-11-12-23(29-4)24(17-21)30-5)15-13-26(22-9-7-6-8-10-22)14-16-31-25(2,3)19-26/h6-12,17H,13-16,18-19H2,1-5H3
• InChIKey: PEKCMKQLYHFDRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164241503
• PubChem CID: 3129830

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7455986
• LogD (pH = 7.4): 3.745599
• Log P: 3.745599
• Molar Refractivity: 123.3969 cm^3
• Polarizability: 48.226562 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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