2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

C24H32N4O8 — CID 163291766

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 163291766) has the molecular formula C24H32N4O8 and a molecular weight of 504.54 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• PubChem CID: 163291766
• Molecular Formula: C24H32N4O8
• Molecular Weight: 504.54 g/mol
• Exact Mass: 504.22
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• SMILES: C=NCCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C24H32N4O8/c1-25-7-9-33-11-13-35-15-16-36-14-12-34-10-8-26-18-4-2-3-17-21(18)24(32)28(23(17)31)19-5-6-20(29)27-22(19)30/h2-4,19,26H,1,5-16H2,(H,27,29,30)
• InChIKey: PAUGCOXHWCLEBZ-UHFFFAOYSA-N
• XLogP: 0.27
• TPSA: 144.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.54
LogP ≤ 5	0.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (CID 163291766) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is C=NCCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The InChIKey is PAUGCOXHWCLEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O8/c1-25-7-9-33-11-13-35-15-16-36-14-12-34-10-8-26-18-4-2-3-17-21(18)24(32)28(23(17)31)19-5-6-20(29)27-22(19)30/h2-4,19,26H,1,5-16H2,(H,27,29,30).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 504.54 g/mol, XLogP of 0.27, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 163291766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).