2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride

C30H43ClN4O11 — CID 155292636

About 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride (PubChem CID 155292636) has the molecular formula C30H43ClN4O11 and a molecular weight of 671.14 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride
• PubChem CID: 155292636
• Molecular Formula: C30H43ClN4O11
• Molecular Weight: 671.14 g/mol
• Exact Mass: 670.26
• IUPAC Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride
• SMILES: Cl.O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCOCCOC1CCNCC1
• InChI: InChI=1S/C30H42N4O11.ClH/c35-25-5-4-23(28(37)33-25)34-29(38)22-2-1-3-24(27(22)30(34)39)45-20-26(36)32-10-11-40-12-13-41-14-15-42-16-17-43-18-19-44-21-6-8-31-9-7-21;/h1-3,21,23,31H,4-20H2,(H,32,36)(H,33,35,37);1H
• InChIKey: PWUMDBCCHGNHJT-UHFFFAOYSA-N
• XLogP: -0.16
• TPSA: 180.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.14
LogP ≤ 5	-0.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride?

The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride (CID 155292636) is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride.

What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride?

The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride is Cl.O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCOCCOC1CCNCC1.

What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride?

The InChIKey is PWUMDBCCHGNHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O11.ClH/c35-25-5-4-23(28(37)33-25)34-29(38)22-2-1-3-24(27(22)30(34)39)45-20-26(36)32-10-11-40-12-13-41-14-15-42-16-17-43-18-19-44-21-6-8-31-9-7-21;/h1-3,21,23,31H,4-20H2,(H,32,36)(H,33,35,37);1H.

What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride?

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride has a molecular weight of 671.14 g/mol, XLogP of -0.16, 20 rotatable bonds, 3 hydrogen bond donors, and 12 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-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 155292636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).