N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-phenylacetamide

• ChemBase ID: 219525
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)Cc1ccccc1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)Cc1ccccc1)c[nH]2
• InChI: InChI=1S/C19H20N2O2/c1-23-16-7-8-18-17(12-16)15(13-21-18)9-10-20-19(22)11-14-5-3-2-4-6-14/h2-8,12-13,21H,9-11H2,1H3,(H,20,22)
• InChIKey: BPUXCTGXJXRWFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-phenylacetamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-phenylacetamide

Database IDs

• PubChem SID: 164275435
• PubChem CID: 16409427

CALCULATED PROPERTIES

• Acid pKa: 15.709716
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9819527
• LogD (pH = 7.4): 2.9819527
• Log P: 2.9819527
• Molar Refractivity: 91.0018 cm^3
• Polarizability: 36.248478 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds