1-(2-ethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

• ChemBase ID: 203838
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: [nH]1cc(c2c1cccc2)CCNC(=O)Nc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1NC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H21N3O2/c1-2-24-18-10-6-5-9-17(18)22-19(23)20-12-11-14-13-21-16-8-4-3-7-15(14)16/h3-10,13,21H,2,11-12H2,1H3,(H2,20,22,23)
• InChIKey: XDLHAHDPPCGSAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
• IUPAC Traditional name: 1-(2-ethoxyphenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

Database IDs

• PubChem SID: 164259748
• PubChem CID: 1767105

CALCULATED PROPERTIES

• Acid pKa: 11.994301
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 3.4121196
• LogD (pH = 7.4): 3.4121091
• Log P: 3.4121196
• Molar Refractivity: 96.1603 cm^3
• Polarizability: 37.358673 Å^3
• Polar Surface Area: 66.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds