2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide

C30H38N4O7 — CID 156528279

About 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide

2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide (PubChem CID 156528279) has the molecular formula C30H38N4O7 and a molecular weight of 566.66 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide
• PubChem CID: 156528279
• Molecular Formula: C30H38N4O7
• Molecular Weight: 566.66 g/mol
• Exact Mass: 566.27
• IUPAC Name: 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide
• SMILES: CCCOCCOCCOCCNC(=O)CNc1cc2c(c(-c3ccccc3)c1)C(=O)N(C1CCC(=O)NC1=O)C2
• InChI: InChI=1S/C30H38N4O7/c1-2-11-39-13-15-41-16-14-40-12-10-31-27(36)19-32-23-17-22-20-34(25-8-9-26(35)33-29(25)37)30(38)28(22)24(18-23)21-6-4-3-5-7-21/h3-7,17-18,25,32H,2,8-16,19-20H2,1H3,(H,31,36)(H,33,35,37)
• InChIKey: KMRFWEINFQVYLB-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 135.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.66
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	3
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-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide?

The IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide (CID 156528279) is 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide.

What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide?

The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide is CCCOCCOCCOCCNC(=O)CNc1cc2c(c(-c3ccccc3)c1)C(=O)N(C1CCC(=O)NC1=O)C2.

What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide?

The InChIKey is KMRFWEINFQVYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O7/c1-2-11-39-13-15-41-16-14-40-12-10-31-27(36)19-32-23-17-22-20-34(25-8-9-26(35)33-29(25)37)30(38)28(22)24(18-23)21-6-4-3-5-7-21/h3-7,17-18,25,32H,2,8-16,19-20H2,1H3,(H,31,36)(H,33,35,37).

What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide?

2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide has a molecular weight of 566.66 g/mol, XLogP of 2.10, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-phenyl-3H-isoindol-5-yl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 156528279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).