N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide

C₂₆H₂₄N₂O₂ — CID 50994134

About N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide

N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide (PubChem CID 50994134) has the molecular formula C₂₆H₂₄N₂O₂ and a molecular weight of 396.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide.

Molecular Properties

• Compound Name: N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
• PubChem CID: 50994134
• Molecular Formula: C₂₆H₂₄N₂O₂
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.18
• IUPAC Name: N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
• SMILES: CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
• InChI: InChI=1S/C26H24N2O2/c1-3-28(18-19-12-6-4-7-13-19)26(30)25(29)23-21-16-10-11-17-22(21)27(2)24(23)20-14-8-5-9-15-20/h4-17H,3,18H2,1-2H3
• InChIKey: JYVRTJFHULBGHS-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?

The IUPAC name of N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide (CID 50994134) is N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide.

What is the SMILES notation for N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?

The canonical SMILES for N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide is CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12.

What is the InChIKey of N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?

The InChIKey is JYVRTJFHULBGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-3-28(18-19-12-6-4-7-13-19)26(30)25(29)23-21-16-10-11-17-22(21)27(2)24(23)20-14-8-5-9-15-20/h4-17H,3,18H2,1-2H3.

What are the key properties of N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?

N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide has a molecular weight of 396.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 50994134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50994134 — identifiers, structure, computed properties (public domain)

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