N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide

C₂₆H₂₆N₂O₂ — CID 122183520

About N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide

N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide (PubChem CID 122183520) has the molecular formula C₂₆H₂₆N₂O₂ and a molecular weight of 398.51 g/mol. Its IUPAC name is N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide.

Molecular Properties

• Compound Name: N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide
• PubChem CID: 122183520
• Molecular Formula: C₂₆H₂₆N₂O₂
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.20
• IUPAC Name: N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide
• SMILES: CCCCCN(C)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
• InChI: InChI=1S/C26H26N2O2/c1-3-4-9-16-28(2)26(30)25(29)23-21-12-7-8-13-22(21)27-24(23)20-15-14-18-10-5-6-11-19(18)17-20/h5-8,10-15,17,27H,3-4,9,16H2,1-2H3
• InChIKey: QYVXQRCNMDJGLL-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide?

The IUPAC name of N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide (CID 122183520) is N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide.

What is the SMILES notation for N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide?

The canonical SMILES for N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide is CCCCCN(C)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.

What is the InChIKey of N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide?

The InChIKey is QYVXQRCNMDJGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-4-9-16-28(2)26(30)25(29)23-21-12-7-8-13-22(21)27-24(23)20-15-14-18-10-5-6-11-19(18)17-20/h5-8,10-15,17,27H,3-4,9,16H2,1-2H3.

What are the key properties of N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide?

N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide has a molecular weight of 398.51 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N-pentylacetamide is sourced from PubChem (CID 122183520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122183520 — identifiers, structure, computed properties (public domain)

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