N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide

C₂₅H₂₄N₂O₂ — CID 122183519

About N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide

N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 122183519) has the molecular formula C₂₅H₂₄N₂O₂ and a molecular weight of 384.48 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

• Compound Name: N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
• PubChem CID: 122183519
• Molecular Formula: C₂₅H₂₄N₂O₂
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.18
• IUPAC Name: N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
• SMILES: CCCCN(C)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
• InChI: InChI=1S/C25H24N2O2/c1-3-4-15-27(2)25(29)24(28)22-20-11-7-8-12-21(20)26-23(22)19-14-13-17-9-5-6-10-18(17)16-19/h5-14,16,26H,3-4,15H2,1-2H3
• InChIKey: FTNGVOLGHCUBDH-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	5.43
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 N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?

The IUPAC name of N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (CID 122183519) is N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.

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

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

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

The InChIKey is FTNGVOLGHCUBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-3-4-15-27(2)25(29)24(28)22-20-11-7-8-12-21(20)26-23(22)19-14-13-17-9-5-6-10-18(17)16-19/h5-14,16,26H,3-4,15H2,1-2H3.

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

N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 384.48 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-methyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 122183519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122183519 — identifiers, structure, computed properties (public domain)

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