3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(Z)-hept-4-en-2-yl]propanamide

C31H44N4O9 — CID 139483315

About 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(Z)-hept-4-en-2-yl]propanamide

3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(Z)-hept-4-en-2-yl]propanamide (PubChem CID 139483315) has the molecular formula C31H44N4O9 and a molecular weight of 616.71 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-[(Z)-hept-4-en-2-yl]propanamide.

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-[(Z)-hept-4-en-2-yl]propanamide
• PubChem CID: 139483315
• Molecular Formula: C31H44N4O9
• Molecular Weight: 616.71 g/mol
• Exact Mass: 616.31
• IUPAC Name: 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(Z)-hept-4-en-2-yl]propanamide
• SMILES: CC/C=C\CC(C)NC(=O)CCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C31H44N4O9/c1-3-4-5-7-22(2)33-27(37)12-14-41-16-18-43-20-21-44-19-17-42-15-13-32-24-9-6-8-23-28(24)31(40)35(30(23)39)25-10-11-26(36)34-29(25)38/h4-6,8-9,22,25,32H,3,7,10-21H2,1-2H3,(H,33,37)(H,34,36,38)/b5-4-
• InChIKey: UGAXCPBHXAEXLV-PLNGDYQASA-N
• XLogP: 1.82
• TPSA: 161.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.71
LogP ≤ 5	1.82
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': 'isolated_alkene', '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-[(Z)-hept-4-en-2-yl]propanamide?

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-[(Z)-hept-4-en-2-yl]propanamide (CID 139483315) is 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(Z)-hept-4-en-2-yl]propanamide.

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-[(Z)-hept-4-en-2-yl]propanamide?

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-[(Z)-hept-4-en-2-yl]propanamide is CC/C=C\CC(C)NC(=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-[(Z)-hept-4-en-2-yl]propanamide?

The InChIKey is UGAXCPBHXAEXLV-PLNGDYQASA-N. The full InChI is InChI=1S/C31H44N4O9/c1-3-4-5-7-22(2)33-27(37)12-14-41-16-18-43-20-21-44-19-17-42-15-13-32-24-9-6-8-23-28(24)31(40)35(30(23)39)25-10-11-26(36)34-29(25)38/h4-6,8-9,22,25,32H,3,7,10-21H2,1-2H3,(H,33,37)(H,34,36,38)/b5-4-.

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-[(Z)-hept-4-en-2-yl]propanamide?

3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(Z)-hept-4-en-2-yl]propanamide has a molecular weight of 616.71 g/mol, XLogP of 1.82, 21 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-[(Z)-hept-4-en-2-yl]propanamide is sourced from PubChem (CID 139483315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).