N-[2-(6-methoxy-1H-indol-3-yl)ethyl]benzamide

• ChemBase ID: 207966
• Molecular Formular: C18H18N2O2
• Molecular Mass: 294.34772
• Monoisotopic Mass: 294.13682783
• SMILES: [nH]1c2c(c(c1)CCNC(=O)c1ccccc1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)[nH]cc2CCNC(=O)c1ccccc1
• InChI: InChI=1S/C18H18N2O2/c1-22-15-7-8-16-14(12-20-17(16)11-15)9-10-19-18(21)13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)
• InChIKey: LWKQDHIUSWDYSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]benzamide
• IUPAC Traditional name: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]benzamide

Database IDs

• PubChem SID: 164263876
• PubChem CID: 1782016

CALCULATED PROPERTIES

• Acid pKa: 14.968907
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.001787
• LogD (pH = 7.4): 3.0017872
• Log P: 3.0017872
• Molar Refractivity: 86.9504 cm^3
• Polarizability: 34.178658 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds