N-[2-(1H-indol-3-ylformamido)ethyl]-2-(2-methoxyphenyl)acetamide

• ChemBase ID: 221218
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(c[nH]c2c1cccc2)C(=O)NCCNC(=O)Cc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CC(=O)NCCNC(=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C20H21N3O3/c1-26-18-9-5-2-6-14(18)12-19(24)21-10-11-22-20(25)16-13-23-17-8-4-3-7-15(16)17/h2-9,13,23H,10-12H2,1H3,(H,21,24)(H,22,25)
• InChIKey: IFWKXXOTOYULTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-ylformamido)ethyl]-2-(2-methoxyphenyl)acetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-ylformamido)ethyl]-2-(2-methoxyphenyl)acetamide

Database IDs

• PubChem SID: 164277128
• PubChem CID: 42507360

CALCULATED PROPERTIES

• Acid pKa: 12.416466
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.8448554
• LogD (pH = 7.4): 1.8448515
• Log P: 1.8448555
• Molar Refractivity: 99.6983 cm^3
• Polarizability: 39.05469 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds