N-cyclopentyl-2-(3-formyl-2-methyl-1H-indol-1-yl)acetamide

• ChemBase ID: 13143
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: c1ccc2c(c1)c(c(n2CC(=O)NC1CCCC1)C)C=O
• Canonical SMILES: O=Cc1c(C)n(c2c1cccc2)CC(=O)NC1CCCC1
• InChI: InChI=1S/C17H20N2O2/c1-12-15(11-20)14-8-4-5-9-16(14)19(12)10-17(21)18-13-6-2-3-7-13/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,18,21)
• InChIKey: LFYUFYXWYKRBEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(3-formyl-2-methyl-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-cyclopentyl-2-(3-formyl-2-methylindol-1-yl)acetamide
• Synonyms: N-Cyclopentyl-2-(3-formyl-2-methyl-indol-1-yl)-acetamide

Database IDs

• MDL Number: MFCD03216645
• PubChem SID: 160976450
• PubChem CID: 802601

CALCULATED PROPERTIES

• Acid pKa: 15.46229
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4571662
• LogD (pH = 7.4): 2.4571662
• Log P: 2.4571662
• Molar Refractivity: 82.9916 cm^3
• Polarizability: 32.571354 Å^3
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false