2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide

C₂₆H₂₆N₂O₂ — CID 122183516

About 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide

2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide (PubChem CID 122183516) has the molecular formula C₂₆H₂₆N₂O₂ and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide.

Molecular Properties

• Compound Name: 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
• PubChem CID: 122183516
• Molecular Formula: C₂₆H₂₆N₂O₂
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.20
• IUPAC Name: 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
• SMILES: CCCN(CCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
• InChI: InChI=1S/C26H26N2O2/c1-3-15-28(16-4-2)26(30)25(29)23-21-11-7-8-12-22(21)27-24(23)20-14-13-18-9-5-6-10-19(18)17-20/h5-14,17,27H,3-4,15-16H2,1-2H3
• InChIKey: XJVAZLBSDOGZAC-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': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide (CID 122183516) is 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide.

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

The canonical SMILES for 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.

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

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

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

2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide 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 2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide is sourced from PubChem (CID 122183516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122183516 — identifiers, structure, computed properties (public domain)

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