2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide

C28H30N4O8 — CID 134511289

About 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide (PubChem CID 134511289) has the molecular formula C28H30N4O8 and a molecular weight of 550.57 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide
• PubChem CID: 134511289
• Molecular Formula: C28H30N4O8
• Molecular Weight: 550.57 g/mol
• Exact Mass: 550.21
• IUPAC Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide
• SMILES: CC(C)OCC(=O)NCc1ccc(CNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
• InChI: InChI=1S/C28H30N4O8/c1-16(2)39-14-23(34)29-12-17-6-8-18(9-7-17)13-30-24(35)15-40-21-5-3-4-19-25(21)28(38)32(27(19)37)20-10-11-22(33)31-26(20)36/h3-9,16,20H,10-15H2,1-2H3,(H,29,34)(H,30,35)(H,31,33,36)
• InChIKey: HUYLFNIQIACNTB-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 160.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.57
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide?

The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide (CID 134511289) is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide.

What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide?

The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide is CC(C)OCC(=O)NCc1ccc(CNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.

What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide?

The InChIKey is HUYLFNIQIACNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O8/c1-16(2)39-14-23(34)29-12-17-6-8-18(9-7-17)13-30-24(35)15-40-21-5-3-4-19-25(21)28(38)32(27(19)37)20-10-11-22(33)31-26(20)36/h3-9,16,20H,10-15H2,1-2H3,(H,29,34)(H,30,35)(H,31,33,36).

What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide?

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide has a molecular weight of 550.57 g/mol, XLogP of 0.82, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 134511289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).