N-cyclopropyl-N-(1H-indol-6-ylmethyl)acetamide

• ChemBase ID: 222114
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: N(C1CC1)(C(=O)C)Cc1cc2[nH]ccc2cc1
• Canonical SMILES: CC(=O)N(C1CC1)Cc1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C14H16N2O/c1-10(17)16(13-4-5-13)9-11-2-3-12-6-7-15-14(12)8-11/h2-3,6-8,13,15H,4-5,9H2,1H3
• InChIKey: ZQHBTGDDQZQNEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-(1H-indol-6-ylmethyl)acetamide
• IUPAC Traditional name: N-cyclopropyl-N-(1H-indol-6-ylmethyl)acetamide

Database IDs

• PubChem SID: 164278024
• PubChem CID: 39377666

CALCULATED PROPERTIES

• Acid pKa: 16.345804
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7058631
• LogD (pH = 7.4): 1.7058635
• Log P: 1.7058635
• Molar Refractivity: 67.1696 cm^3
• Polarizability: 27.08405 Å^3
• Polar Surface Area: 36.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds