N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-methoxyacetamide

• ChemBase ID: 222468
• Molecular Formular: C15H18N2O2
• Molecular Mass: 258.31562
• Monoisotopic Mass: 258.13682783
• SMILES: N(C1CC1)(C(=O)COC)Cc1cc2[nH]ccc2cc1
• Canonical SMILES: COCC(=O)N(C1CC1)Cc1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C15H18N2O2/c1-19-10-15(18)17(13-4-5-13)9-11-2-3-12-6-7-16-14(12)8-11/h2-3,6-8,13,16H,4-5,9-10H2,1H3
• InChIKey: SSHHSFSKEDGXRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-methoxyacetamide
• IUPAC Traditional name: N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-methoxyacetamide

Database IDs

• PubChem SID: 164278378
• PubChem CID: 39378124

CALCULATED PROPERTIES

• Acid pKa: 16.345634
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5317419
• LogD (pH = 7.4): 1.5317419
• Log P: 1.5317419
• Molar Refractivity: 73.623 cm^3
• Polarizability: 29.594627 Å^3
• Polar Surface Area: 45.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds