N-[2-(4-methoxy-1H-indol-1-yl)ethyl]acetamide

• ChemBase ID: 225846
• Molecular Formular: C13H16N2O2
• Molecular Mass: 232.27834
• Monoisotopic Mass: 232.12117776
• SMILES: c12ccn(c1cccc2OC)CCNC(=O)C
• Canonical SMILES: COc1cccc2c1ccn2CCNC(=O)C
• InChI: InChI=1S/C13H16N2O2/c1-10(16)14-7-9-15-8-6-11-12(15)4-3-5-13(11)17-2/h3-6,8H,7,9H2,1-2H3,(H,14,16)
• InChIKey: PLNASOZDTFSFJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxy-1H-indol-1-yl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(4-methoxyindol-1-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164281756
• PubChem CID: 52026893

CALCULATED PROPERTIES

• Acid pKa: 15.9025
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1598753
• LogD (pH = 7.4): 1.1598754
• Log P: 1.1598754
• Molar Refractivity: 65.898 cm^3
• Polarizability: 26.62986 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds