N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-1H-indol-1-yl)acetamide

• ChemBase ID: 222175
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: n1(ccc2c1c(OC)ccc2)CC(=O)NCC(c1ccccc1)O
• Canonical SMILES: COc1cccc2c1n(cc2)CC(=O)NCC(c1ccccc1)O
• InChI: InChI=1S/C19H20N2O3/c1-24-17-9-5-8-15-10-11-21(19(15)17)13-18(23)20-12-16(22)14-6-3-2-4-7-14/h2-11,16,22H,12-13H2,1H3,(H,20,23)
• InChIKey: QRSOTQSZUOZYTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-(2-hydroxy-2-phenylethyl)-2-(7-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164278085
• PubChem CID: 42648967

CALCULATED PROPERTIES

• Acid pKa: 14.078487
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1268675
• LogD (pH = 7.4): 2.1268675
• Log P: 2.1268675
• Molar Refractivity: 91.883 cm^3
• Polarizability: 36.84378 Å^3
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds