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

• ChemBase ID: 218686
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CNC(=O)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)CNC(=O)c1ccccc1)c[nH]2
• InChI: InChI=1S/C20H21N3O3/c1-26-16-7-8-18-17(11-16)15(12-22-18)9-10-21-19(24)13-23-20(25)14-5-3-2-4-6-14/h2-8,11-12,22H,9-10,13H2,1H3,(H,21,24)(H,23,25)
• InChIKey: UPDQETAGKGWYCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274596
• PubChem CID: 16408638

CALCULATED PROPERTIES

• Acid pKa: 14.785633
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.8965039
• LogD (pH = 7.4): 1.8965039
• Log P: 1.896504
• Molar Refractivity: 99.7539 cm^3
• Polarizability: 39.04539 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