N-[1-(1H-indol-3-yl)propan-2-yl]acetamide

• ChemBase ID: 202298
• Molecular Formular: C13H16N2O
• Molecular Mass: 216.27894
• Monoisotopic Mass: 216.12626314
• SMILES: c1(c[nH]c2c1cccc2)CC(NC(=O)C)C
• Canonical SMILES: CC(Cc1c[nH]c2c1cccc2)NC(=O)C
• InChI: InChI=1S/C13H16N2O/c1-9(15-10(2)16)7-11-8-14-13-6-4-3-5-12(11)13/h3-6,8-9,14H,7H2,1-2H3,(H,15,16)
• InChIKey: CIJOGCKBIRFFKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164258208
• PubChem CID: 3137665

CALCULATED PROPERTIES

• Acid pKa: 15.862682
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.7218589
• LogD (pH = 7.4): 1.7218591
• Log P: 1.7218591
• Molar Refractivity: 64.2355 cm^3
• Polarizability: 25.980368 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds