N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide

• ChemBase ID: 219359
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCC(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C21H24N2O3/c1-25-17-6-3-15(4-7-17)5-10-21(24)22-12-11-16-14-23-20-9-8-18(26-2)13-19(16)20/h3-4,6-9,13-14,23H,5,10-12H2,1-2H3,(H,22,24)
• InChIKey: UHQOHEMXUHKIAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide

Database IDs

• PubChem SID: 164275269
• PubChem CID: 16409266

CALCULATED PROPERTIES

• Acid pKa: 15.645121
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.2688498
• LogD (pH = 7.4): 3.26885
• Log P: 3.26885
• Molar Refractivity: 102.066 cm^3
• Polarizability: 40.587814 Å^3
• Polar Surface Area: 63.35 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds