2-(5-methoxy-1H-indol-1-yl)-N-[1-(propan-2-yl)-1H-indol-4-yl]acetamide

• ChemBase ID: 225407
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: n1(c2c(cc1)c(NC(=O)Cn1c3c(cc1)cc(cc3)OC)ccc2)C(C)C
• Canonical SMILES: COc1ccc2c(c1)ccn2CC(=O)Nc1cccc2c1ccn2C(C)C
• InChI: InChI=1S/C22H23N3O2/c1-15(2)25-12-10-18-19(5-4-6-21(18)25)23-22(26)14-24-11-9-16-13-17(27-3)7-8-20(16)24/h4-13,15H,14H2,1-3H3,(H,23,26)
• InChIKey: DYYCBGSJIBJISC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxy-1H-indol-1-yl)-N-[1-(propan-2-yl)-1H-indol-4-yl]acetamide
• IUPAC Traditional name: N-(1-isopropylindol-4-yl)-2-(5-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164281317
• PubChem CID: 56763610

CALCULATED PROPERTIES

• Acid pKa: 12.546477
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1461186
• LogD (pH = 7.4): 4.146116
• Log P: 4.1461186
• Molar Refractivity: 108.0169 cm^3
• Polarizability: 43.23869 Å^3
• Polar Surface Area: 48.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds