N-(2,2-dimethyloxan-4-yl)-2-[1-(2-methoxyethyl)-1H-indol-3-yl]acetamide

• ChemBase ID: 226996
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: c1(cn(c2c1cccc2)CCOC)CC(=O)NC1CC(OCC1)(C)C
• Canonical SMILES: COCCn1cc(c2c1cccc2)CC(=O)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C20H28N2O3/c1-20(2)13-16(8-10-25-20)21-19(23)12-15-14-22(9-11-24-3)18-7-5-4-6-17(15)18/h4-7,14,16H,8-13H2,1-3H3,(H,21,23)
• InChIKey: QLOKLVYZMCGLPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-2-[1-(2-methoxyethyl)-1H-indol-3-yl]acetamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-2-[1-(2-methoxyethyl)indol-3-yl]acetamide

Database IDs

• PubChem SID: 164282906
• PubChem CID: 71754138

CALCULATED PROPERTIES

• Acid pKa: 15.842223
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9615278
• LogD (pH = 7.4): 1.961528
• Log P: 1.961528
• Molar Refractivity: 98.6437 cm^3
• Polarizability: 39.412224 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds