N-benzyl-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-N-methylacetamide

• ChemBase ID: 214088
• Molecular Formular: C21H26N2O3
• Molecular Mass: 354.44274
• Monoisotopic Mass: 354.1943427
• SMILES: C(=O)(N(Cc1ccccc1)C)CN1Cc2c(cc(c(c2)OC)OC)CC1
• Canonical SMILES: COc1cc2CN(CCc2cc1OC)CC(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C21H26N2O3/c1-22(13-16-7-5-4-6-8-16)21(24)15-23-10-9-17-11-19(25-2)20(26-3)12-18(17)14-23/h4-8,11-12H,9-10,13-15H2,1-3H3
• InChIKey: OXAVKNBEAPYXJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-N-methylacetamide
• IUPAC Traditional name: N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide

Database IDs

• PubChem SID: 164269998
• PubChem CID: 4869428

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4328188
• LogD (pH = 7.4): 2.4294279
• Log P: 2.4820545
• Molar Refractivity: 103.1495 cm^3
• Polarizability: 39.771553 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds