2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide

C₁₇H₁₉IN₄O₄ — CID 156527826

About 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide

2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide (PubChem CID 156527826) has the molecular formula C₁₇H₁₉IN₄O₄ and a molecular weight of 470.27 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide
• PubChem CID: 156527826
• Molecular Formula: C₁₇H₁₉IN₄O₄
• Molecular Weight: 470.27 g/mol
• Exact Mass: 470.05
• IUPAC Name: 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide
• SMILES: CN(C)CC(=O)Nc1cc(I)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
• InChI: InChI=1S/C17H19IN4O4/c1-21(2)8-15(24)19-9-5-10-11(12(18)6-9)7-22(17(10)26)13-3-4-14(23)20-16(13)25/h5-6,13H,3-4,7-8H2,1-2H3,(H,19,24)(H,20,23,25)
• InChIKey: UDZKUINRYDEMDI-UHFFFAOYSA-N
• XLogP: 0.55
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.27
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide?

The IUPAC name of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide (CID 156527826) is 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide.

What is the SMILES notation for 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide?

The canonical SMILES for 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide is CN(C)CC(=O)Nc1cc(I)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.

What is the InChIKey of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide?

The InChIKey is UDZKUINRYDEMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN4O4/c1-21(2)8-15(24)19-9-5-10-11(12(18)6-9)7-22(17(10)26)13-3-4-14(23)20-16(13)25/h5-6,13H,3-4,7-8H2,1-2H3,(H,19,24)(H,20,23,25).

What are the key properties of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide?

2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide has a molecular weight of 470.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide is sourced from PubChem (CID 156527826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156527826 — identifiers, structure, computed properties (public domain)

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