11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide

C34H44N4O5 — CID 167088482

About 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide

11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide (PubChem CID 167088482) has the molecular formula C34H44N4O5 and a molecular weight of 588.75 g/mol. Its IUPAC name is 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide.

Molecular Properties

• Compound Name: 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide
• PubChem CID: 167088482
• Molecular Formula: C34H44N4O5
• Molecular Weight: 588.75 g/mol
• Exact Mass: 588.33
• IUPAC Name: 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide
• SMILES: Cc1cc(CNC(=O)CCCCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc(C)c1C
• InChI: InChI=1S/C34H44N4O5/c1-22-19-25(20-23(2)24(22)3)21-36-29(39)15-10-8-6-4-5-7-9-11-18-35-27-14-12-13-26-31(27)34(43)38(33(26)42)28-16-17-30(40)37-32(28)41/h12-14,19-20,28,35H,4-11,15-18,21H2,1-3H3,(H,36,39)(H,37,40,41)
• InChIKey: NZVQZMTVENLMAE-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 124.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.75
LogP ≤ 5	5.25
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 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide?

The IUPAC name of 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide (CID 167088482) is 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide.

What is the SMILES notation for 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide?

The canonical SMILES for 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide is Cc1cc(CNC(=O)CCCCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc(C)c1C.

What is the InChIKey of 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide?

The InChIKey is NZVQZMTVENLMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O5/c1-22-19-25(20-23(2)24(22)3)21-36-29(39)15-10-8-6-4-5-7-9-11-18-35-27-14-12-13-26-31(27)34(43)38(33(26)42)28-16-17-30(40)37-32(28)41/h12-14,19-20,28,35H,4-11,15-18,21H2,1-3H3,(H,36,39)(H,37,40,41).

What are the key properties of 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide?

11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide has a molecular weight of 588.75 g/mol, XLogP of 5.25, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide is sourced from PubChem (CID 167088482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).