N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide

C₃₂H₃₈N₂O₂ — CID 122183518

About N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide

N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 122183518) has the molecular formula C₃₂H₃₈N₂O₂ and a molecular weight of 482.67 g/mol. Its IUPAC name is N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

• Compound Name: N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
• PubChem CID: 122183518
• Molecular Formula: C₃₂H₃₈N₂O₂
• Molecular Weight: 482.67 g/mol
• Exact Mass: 482.29
• IUPAC Name: N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
• SMILES: CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
• InChI: InChI=1S/C32H38N2O2/c1-3-5-7-13-21-34(22-14-8-6-4-2)32(36)31(35)29-27-17-11-12-18-28(27)33-30(29)26-20-19-24-15-9-10-16-25(24)23-26/h9-12,15-20,23,33H,3-8,13-14,21-22H2,1-2H3
• InChIKey: JRVWNMBDNLIHGB-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.67
LogP ≤ 5	8.16
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,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?

The IUPAC name of N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (CID 122183518) is N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.

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

The canonical SMILES for N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.

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

The InChIKey is JRVWNMBDNLIHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-3-5-7-13-21-34(22-14-8-6-4-2)32(36)31(35)29-27-17-11-12-18-28(27)33-30(29)26-20-19-24-15-9-10-16-25(24)23-26/h9-12,15-20,23,33H,3-8,13-14,21-22H2,1-2H3.

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

N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 482.67 g/mol, XLogP of 8.16, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 122183518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122183518 — identifiers, structure, computed properties (public domain)

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