N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxyethyl)-1H-indol-3-yl]acetamide

• ChemBase ID: 226831
• Molecular Formular: C17H25N3O2
• Molecular Mass: 303.3993
• Monoisotopic Mass: 303.19467706
• SMILES: c1(cn(c2c1cccc2)CCOC)CC(=O)NCCN(C)C
• Canonical SMILES: COCCn1cc(c2c1cccc2)CC(=O)NCCN(C)C
• InChI: InChI=1S/C17H25N3O2/c1-19(2)9-8-18-17(21)12-14-13-20(10-11-22-3)16-7-5-4-6-15(14)16/h4-7,13H,8-12H2,1-3H3,(H,18,21)
• InChIKey: XUXQIYPETPVZLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxyethyl)-1H-indol-3-yl]acetamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxyethyl)indol-3-yl]acetamide

Database IDs

• PubChem SID: 164282741
• PubChem CID: 71753981

CALCULATED PROPERTIES

• Acid pKa: 16.043507
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5663087
• LogD (pH = 7.4): 0.18218662
• Log P: 1.3218347
• Molar Refractivity: 89.1303 cm^3
• Polarizability: 35.46216 Å^3
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds