2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide

C27H29N3O8 — CID 164615010

About 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide

2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide (PubChem CID 164615010) has the molecular formula C27H29N3O8 and a molecular weight of 523.54 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide
• PubChem CID: 164615010
• Molecular Formula: C27H29N3O8
• Molecular Weight: 523.54 g/mol
• Exact Mass: 523.20
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(C(=O)NCCOCCOCCOCc4ccccc4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C27H29N3O8/c31-22-10-9-21(25(33)29-22)30-26(34)20-8-4-7-19(23(20)27(30)35)24(32)28-11-12-36-13-14-37-15-16-38-17-18-5-2-1-3-6-18/h1-8,21H,9-17H2,(H,28,32)(H,29,31,33)
• InChIKey: QPWWJPRPPHFPDS-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 140.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.54
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide (CID 164615010) is 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide is O=C1CCC(N2C(=O)c3cccc(C(=O)NCCOCCOCCOCc4ccccc4)c3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide?

The InChIKey is QPWWJPRPPHFPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O8/c31-22-10-9-21(25(33)29-22)30-26(34)20-8-4-7-19(23(20)27(30)35)24(32)28-11-12-36-13-14-37-15-16-38-17-18-5-2-1-3-6-18/h1-8,21H,9-17H2,(H,28,32)(H,29,31,33).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide?

2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide has a molecular weight of 523.54 g/mol, XLogP of 1.07, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-N-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]isoindole-4-carboxamide is sourced from PubChem (CID 164615010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).