2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide

C30H39N5O7 — CID 156527858

About 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide

2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide (PubChem CID 156527858) has the molecular formula C30H39N5O7 and a molecular weight of 581.67 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide
• PubChem CID: 156527858
• Molecular Formula: C30H39N5O7
• Molecular Weight: 581.67 g/mol
• Exact Mass: 581.28
• IUPAC Name: 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide
• SMILES: CCOCCOCCOCCNc1ccc(CNC(=O)CNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1
• InChI: InChI=1S/C30H39N5O7/c1-2-40-13-14-42-16-15-41-12-11-31-23-6-3-21(4-7-23)18-33-28(37)19-32-24-8-5-22-20-35(30(39)25(22)17-24)26-9-10-27(36)34-29(26)38/h3-8,17,26,31-32H,2,9-16,18-20H2,1H3,(H,33,37)(H,34,36,38)
• InChIKey: CPLONSMJPJJGRY-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 147.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.67
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide?

The IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide (CID 156527858) is 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide.

What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide?

The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide is CCOCCOCCOCCNc1ccc(CNC(=O)CNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1.

What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide?

The InChIKey is CPLONSMJPJJGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O7/c1-2-40-13-14-42-16-15-41-12-11-31-23-6-3-21(4-7-23)18-33-28(37)19-32-24-8-5-22-20-35(30(39)25(22)17-24)26-9-10-27(36)34-29(26)38/h3-8,17,26,31-32H,2,9-16,18-20H2,1H3,(H,33,37)(H,34,36,38).

What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide?

2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide has a molecular weight of 581.67 g/mol, XLogP of 1.66, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 156527858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).