N-(2,2-dimethyloxan-4-yl)-2-(5-methoxy-1H-indol-1-yl)acetamide

• ChemBase ID: 225305
• Molecular Formular: C18H24N2O3
• Molecular Mass: 316.39476
• Monoisotopic Mass: 316.17869264
• SMILES: n1(c2c(cc1)cc(cc2)OC)CC(=O)NC1CC(OCC1)(C)C
• Canonical SMILES: COc1ccc2c(c1)ccn2CC(=O)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C18H24N2O3/c1-18(2)11-14(7-9-23-18)19-17(21)12-20-8-6-13-10-15(22-3)4-5-16(13)20/h4-6,8,10,14H,7,9,11-12H2,1-3H3,(H,19,21)
• InChIKey: JZCZTDHONVEZFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-2-(5-methoxy-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-2-(5-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164281215
• PubChem CID: 56763519

CALCULATED PROPERTIES

• Acid pKa: 15.40946
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6910671
• LogD (pH = 7.4): 1.6910671
• Log P: 1.6910671
• Molar Refractivity: 88.8404 cm^3
• Polarizability: 35.79123 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds