N-[1-(2-methoxyethyl)-1H-indol-4-yl]-3-(2-methoxyphenyl)propanamide

• ChemBase ID: 226010
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: c12ccn(c1cccc2NC(=O)CCc1c(OC)cccc1)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)CCc1ccccc1OC
• InChI: InChI=1S/C21H24N2O3/c1-25-15-14-23-13-12-17-18(7-5-8-19(17)23)22-21(24)11-10-16-6-3-4-9-20(16)26-2/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,22,24)
• InChIKey: LJGKVWMCLHNWCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methoxyethyl)-1H-indol-4-yl]-3-(2-methoxyphenyl)propanamide
• IUPAC Traditional name: N-[1-(2-methoxyethyl)indol-4-yl]-3-(2-methoxyphenyl)propanamide

Database IDs

• PubChem SID: 164281920
• PubChem CID: 71692000

CALCULATED PROPERTIES

• Acid pKa: 13.248336
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.607656
• LogD (pH = 7.4): 3.6076553
• Log P: 3.607656
• Molar Refractivity: 103.7338 cm^3
• Polarizability: 40.514236 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds