N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C30H44N4O6 — CID 147975273

About N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 147975273) has the molecular formula C30H44N4O6 and a molecular weight of 556.70 g/mol. Its IUPAC name is N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

• Compound Name: N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
• PubChem CID: 147975273
• Molecular Formula: C30H44N4O6
• Molecular Weight: 556.70 g/mol
• Exact Mass: 556.33
• IUPAC Name: N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
• SMILES: CC(C)(C)OCC(=O)NCCCCCCCCCC(=O)CNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C30H44N4O6/c1-30(2,3)40-20-27(37)31-17-10-8-6-4-5-7-9-12-21(35)18-32-24-14-11-13-22-23(24)19-34(29(22)39)25-15-16-26(36)33-28(25)38/h11,13-14,25,32H,4-10,12,15-20H2,1-3H3,(H,31,37)(H,33,36,38)
• InChIKey: ISDQSHYPKGDTEA-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 133.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.70
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?

The IUPAC name of N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 147975273) is N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

What is the SMILES notation for N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?

The canonical SMILES for N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCCCCCCCCCC(=O)CNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?

The InChIKey is ISDQSHYPKGDTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O6/c1-30(2,3)40-20-27(37)31-17-10-8-6-4-5-7-9-12-21(35)18-32-24-14-11-13-22-23(24)19-34(29(22)39)25-15-16-26(36)33-28(25)38/h11,13-14,25,32H,4-10,12,15-20H2,1-3H3,(H,31,37)(H,33,36,38).

What are the key properties of N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?

N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 556.70 g/mol, XLogP of 3.48, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 147975273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).