3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide

C25H34N4O9 — CID 166807997

About 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide

3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide (PubChem CID 166807997) has the molecular formula C25H34N4O9 and a molecular weight of 534.57 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
• PubChem CID: 166807997
• Molecular Formula: C25H34N4O9
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.23
• IUPAC Name: 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
• SMILES: CNC(=O)CCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C25H34N4O9/c1-26-20(30)7-9-35-11-13-37-15-16-38-14-12-36-10-8-27-18-4-2-3-17-22(18)25(34)29(24(17)33)19-5-6-21(31)28-23(19)32/h2-4,19,27H,5-16H2,1H3,(H,26,30)(H,28,31,32)
• InChIKey: MOHALWYESZEPSH-UHFFFAOYSA-N
• XLogP: -0.30
• TPSA: 161.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	-0.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide?

The IUPAC name of 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide (CID 166807997) is 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide.

What is the SMILES notation for 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide?

The canonical SMILES for 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide is CNC(=O)CCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide?

The InChIKey is MOHALWYESZEPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O9/c1-26-20(30)7-9-35-11-13-37-15-16-38-14-12-36-10-8-27-18-4-2-3-17-22(18)25(34)29(24(17)33)19-5-6-21(31)28-23(19)32/h2-4,19,27H,5-16H2,1H3,(H,26,30)(H,28,31,32).

What are the key properties of 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide?

3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide has a molecular weight of 534.57 g/mol, XLogP of -0.30, 17 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide is sourced from PubChem (CID 166807997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).