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

• ChemBase ID: 11465
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: c1ccc2c(c1)c(cn2CC(=O)NC1CCCC1)C=O
• Canonical SMILES: O=Cc1cn(c2c1cccc2)CC(=O)NC1CCCC1
• InChI: InChI=1S/C16H18N2O2/c19-11-12-9-18(15-8-4-3-7-14(12)15)10-16(20)17-13-5-1-2-6-13/h3-4,7-9,11,13H,1-2,5-6,10H2,(H,17,20)
• InChIKey: FEEHNBPNHNGVQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 431981-28-1
• MDL Number: MFCD02909080
• PubChem SID: 160974772
• PubChem CID: 784154

CALCULATED PROPERTIES

• Acid pKa: 15.404849
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2576048
• LogD (pH = 7.4): 2.2576048
• Log P: 2.2576048
• Molar Refractivity: 77.8419 cm^3
• Polarizability: 30.80728 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