N-(2,2-dimethyloxan-4-yl)-2-(1-methyl-1H-indol-3-yl)acetamide

• ChemBase ID: 227015
• Molecular Formular: C18H24N2O2
• Molecular Mass: 300.39536
• Monoisotopic Mass: 300.18377802
• SMILES: c1(cn(c2c1cccc2)C)CC(=O)NC1CC(OCC1)(C)C
• Canonical SMILES: O=C(Cc1cn(c2c1cccc2)C)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C18H24N2O2/c1-18(2)11-14(8-9-22-18)19-17(21)10-13-12-20(3)16-7-5-4-6-15(13)16/h4-7,12,14H,8-11H2,1-3H3,(H,19,21)
• InChIKey: VBPKMTIOEITBED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-2-(1-methyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-2-(1-methylindol-3-yl)acetamide

Database IDs

• PubChem SID: 164282925
• PubChem CID: 71754156

CALCULATED PROPERTIES

• Acid pKa: 15.906204
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0085034
• LogD (pH = 7.4): 2.0085034
• Log P: 2.0085034
• Molar Refractivity: 87.6002 cm^3
• Polarizability: 35.048584 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds