tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate

C34H34N6O8 — CID 154688444

About tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate

tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate (PubChem CID 154688444) has the molecular formula C34H34N6O8 and a molecular weight of 654.68 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate
• PubChem CID: 154688444
• Molecular Formula: C34H34N6O8
• Molecular Weight: 654.68 g/mol
• Exact Mass: 654.24
• IUPAC Name: tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCc1ccc(/N=N/c2ccc(NC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1
• InChI: InChI=1S/C34H34N6O8/c1-34(2,3)48-33(46)35-18-17-20-7-9-22(10-8-20)38-39-23-13-11-21(12-14-23)36-28(42)19-47-26-6-4-5-24-29(26)32(45)40(31(24)44)25-15-16-27(41)37-30(25)43/h4-14,25H,15-19H2,1-3H3,(H,35,46)(H,36,42)(H,37,41,43)/b39-38+
• InChIKey: GTXQOQOVSGYGDP-YMZYAJTMSA-N
• XLogP: 4.59
• TPSA: 184.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	654.68
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', '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 tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate (CID 154688444) is tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(/N=N/c2ccc(NC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1.

What is the InChIKey of tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate?

The InChIKey is GTXQOQOVSGYGDP-YMZYAJTMSA-N. The full InChI is InChI=1S/C34H34N6O8/c1-34(2,3)48-33(46)35-18-17-20-7-9-22(10-8-20)38-39-23-13-11-21(12-14-23)36-28(42)19-47-26-6-4-5-24-29(26)32(45)40(31(24)44)25-15-16-27(41)37-30(25)43/h4-14,25H,15-19H2,1-3H3,(H,35,46)(H,36,42)(H,37,41,43)/b39-38+.

What are the key properties of tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate?

tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate has a molecular weight of 654.68 g/mol, XLogP of 4.59, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate is sourced from PubChem (CID 154688444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).