16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide

C29H42N4O5 — CID 171853695

About 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide

16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide (PubChem CID 171853695) has the molecular formula C29H42N4O5 and a molecular weight of 526.68 g/mol. Its IUPAC name is 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide.

Molecular Properties

• Compound Name: 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
• PubChem CID: 171853695
• Molecular Formula: C29H42N4O5
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.32
• IUPAC Name: 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
• SMILES: NC(=O)CCCCCCCCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C29H42N4O5/c30-24(34)17-12-10-8-6-4-2-1-3-5-7-9-11-13-20-31-22-16-14-15-21-26(22)29(38)33(28(21)37)23-18-19-25(35)32-27(23)36/h14-16,23,31H,1-13,17-20H2,(H2,30,34)(H,32,35,36)
• InChIKey: QJBDLIQQDAIALI-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 138.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide?

The IUPAC name of 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide (CID 171853695) is 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide.

What is the SMILES notation for 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide?

The canonical SMILES for 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide is NC(=O)CCCCCCCCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide?

The InChIKey is QJBDLIQQDAIALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O5/c30-24(34)17-12-10-8-6-4-2-1-3-5-7-9-11-13-20-31-22-16-14-15-21-26(22)29(38)33(28(21)37)23-18-19-25(35)32-27(23)36/h14-16,23,31H,1-13,17-20H2,(H2,30,34)(H,32,35,36).

What are the key properties of 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide?

16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide has a molecular weight of 526.68 g/mol, XLogP of 4.45, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide is sourced from PubChem (CID 171853695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).