N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(propan-2-yl)-1H-indol-3-yl]propanamide

• ChemBase ID: 227065
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: n1(cc(c2c1cccc2)CCC(=O)NCCc1nc[nH]c1)C(C)C
• Canonical SMILES: O=C(CCc1cn(c2c1cccc2)C(C)C)NCCc1c[nH]cn1
• InChI: InChI=1S/C19H24N4O/c1-14(2)23-12-15(17-5-3-4-6-18(17)23)7-8-19(24)21-10-9-16-11-20-13-22-16/h3-6,11-14H,7-10H2,1-2H3,(H,20,22)(H,21,24)
• InChIKey: XZEPFJBBQCNRMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(propan-2-yl)-1H-indol-3-yl]propanamide
• IUPAC Traditional name: N-[2-(1H-imidazol-4-yl)ethyl]-3-(1-isopropylindol-3-yl)propanamide

Database IDs

• PubChem SID: 164282975
• PubChem CID: 71754203

CALCULATED PROPERTIES

• Acid pKa: 13.101323
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7035048
• LogD (pH = 7.4): 2.440578
• Log P: 2.492605
• Molar Refractivity: 95.5807 cm^3
• Polarizability: 37.815926 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds