N-[2-(1H-indol-3-ylformamido)ethyl]-2-methoxyacetamide

• ChemBase ID: 220780
• Molecular Formular: C14H17N3O3
• Molecular Mass: 275.30308
• Monoisotopic Mass: 275.12699142
• SMILES: c1(c[nH]c2c1cccc2)C(=O)NCCNC(=O)COC
• Canonical SMILES: COCC(=O)NCCNC(=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C14H17N3O3/c1-20-9-13(18)15-6-7-16-14(19)11-8-17-12-5-3-2-4-10(11)12/h2-5,8,17H,6-7,9H2,1H3,(H,15,18)(H,16,19)
• InChIKey: LFYQHBHSAJVBJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-ylformamido)ethyl]-2-methoxyacetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-ylformamido)ethyl]-2-methoxyacetamide

Database IDs

• PubChem SID: 164276690
• PubChem CID: 42506835

CALCULATED PROPERTIES

• Acid pKa: 12.416109
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.00593469
• LogD (pH = 7.4): -0.0059386077
• Log P: -0.005934579
• Molar Refractivity: 74.9666 cm^3
• Polarizability: 29.47962 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds