N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide

C27H32N6O5 — CID 167060398

About N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide

N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide (PubChem CID 167060398) has the molecular formula C27H32N6O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide
• PubChem CID: 167060398
• Molecular Formula: C27H32N6O5
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.24
• IUPAC Name: N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide
• SMILES: NCCCCCCNC(=O)COc1ccc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
• InChI: InChI=1S/C27H32N6O5/c28-14-3-1-2-4-15-29-25(35)17-38-19-10-8-18(9-11-19)31-32-22-7-5-6-20-21(22)16-33(27(20)37)23-12-13-24(34)30-26(23)36/h5-11,23H,1-4,12-17,28H2,(H,29,35)(H,30,34,36)/b32-31+
• InChIKey: VQKPBXHRXVGNIS-QNEJGDQOSA-N
• XLogP: 2.88
• TPSA: 155.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide?

The IUPAC name of N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide (CID 167060398) is N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide.

What is the SMILES notation for N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide?

The canonical SMILES for N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide is NCCCCCCNC(=O)COc1ccc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1.

What is the InChIKey of N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide?

The InChIKey is VQKPBXHRXVGNIS-QNEJGDQOSA-N. The full InChI is InChI=1S/C27H32N6O5/c28-14-3-1-2-4-15-29-25(35)17-38-19-10-8-18(9-11-19)31-32-22-7-5-6-20-21(22)16-33(27(20)37)23-12-13-24(34)30-26(23)36/h5-11,23H,1-4,12-17,28H2,(H,29,35)(H,30,34,36)/b32-31+.

What are the key properties of N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide?

N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide has a molecular weight of 520.59 g/mol, XLogP of 2.88, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide is sourced from PubChem (CID 167060398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).