N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid

C22H25F3N4O8 — CID 155982402

About N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid

N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155982402) has the molecular formula C22H25F3N4O8 and a molecular weight of 530.46 g/mol. Its IUPAC name is N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155982402
• Molecular Formula: C22H25F3N4O8
• Molecular Weight: 530.46 g/mol
• Exact Mass: 530.16
• IUPAC Name: N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
• SMILES: NCCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H24N4O6.C2HF3O2/c21-9-2-1-3-10-22-16(26)11-30-14-6-4-5-12-17(14)20(29)24(19(12)28)13-7-8-15(25)23-18(13)27;3-2(4,5)1(6)7/h4-6,13H,1-3,7-11,21H2,(H,22,26)(H,23,25,27);(H,6,7)
• InChIKey: QHUIDSZIGQRYGK-UHFFFAOYSA-N
• XLogP: 0.35
• TPSA: 185.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.46
LogP ≤ 5	0.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid (CID 155982402) is N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid is NCCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F.

What is the InChIKey of N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid?

The InChIKey is QHUIDSZIGQRYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6.C2HF3O2/c21-9-2-1-3-10-22-16(26)11-30-14-6-4-5-12-17(14)20(29)24(19(12)28)13-7-8-15(25)23-18(13)27;3-2(4,5)1(6)7/h4-6,13H,1-3,7-11,21H2,(H,22,26)(H,23,25,27);(H,6,7).

What are the key properties of N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid?

N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 530.46 g/mol, XLogP of 0.35, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155982402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).