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

• ChemBase ID: 225445
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: n1(c2c(cc1)cc(cc2)OC)CC(=O)Nc1c2ccn(c2ccc1)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)Cn1ccc2c1ccc(c2)OC
• InChI: InChI=1S/C22H23N3O3/c1-27-13-12-24-11-9-18-19(4-3-5-21(18)24)23-22(26)15-25-10-8-16-14-17(28-2)6-7-20(16)25/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
• InChIKey: NBZDSWBYLBUMFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281355
• PubChem CID: 56763646

CALCULATED PROPERTIES

• Acid pKa: 12.546639
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3257604
• LogD (pH = 7.4): 3.3257575
• Log P: 3.3257604
• Molar Refractivity: 109.893 cm^3
• Polarizability: 43.893215 Å^3
• Polar Surface Area: 57.42 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds