N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide

C53H63N7O12 — CID 167534206

About N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide

N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide (PubChem CID 167534206) has the molecular formula C53H63N7O12 and a molecular weight of 990.12 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide
• PubChem CID: 167534206
• Molecular Formula: C53H63N7O12
• Molecular Weight: 990.12 g/mol
• Exact Mass: 989.45
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide
• SMILES: CCc1cc2c(cc1-c1cnn(CC(=O)NCCOCCOCCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c1)C(C)(C)c1[nH]c3cc(C)ccc3c1C2=O
• InChI: InChI=1S/C53H63N7O12/c1-5-34-28-39-40(53(3,4)49-47(48(39)63)36-10-9-33(2)27-42(36)57-49)29-38(34)35-30-56-59(31-35)32-45(62)55-14-16-68-18-20-70-22-24-72-26-25-71-23-21-69-19-17-67-15-13-54-41-8-6-7-37-46(41)52(66)60(51(37)65)43-11-12-44(61)58-50(43)64/h6-10,27-31,43,54,57H,5,11-26,32H2,1-4H3,(H,55,62)(H,58,61,64)
• InChIKey: BRLPPNAQMMNGPU-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 230.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	990.12
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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 N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide (CID 167534206) is N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide is CCc1cc2c(cc1-c1cnn(CC(=O)NCCOCCOCCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c1)C(C)(C)c1[nH]c3cc(C)ccc3c1C2=O.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide?

The InChIKey is BRLPPNAQMMNGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H63N7O12/c1-5-34-28-39-40(53(3,4)49-47(48(39)63)36-10-9-33(2)27-42(36)57-49)29-38(34)35-30-56-59(31-35)32-45(62)55-14-16-68-18-20-70-22-24-72-26-25-71-23-21-69-19-17-67-15-13-54-41-8-6-7-37-46(41)52(66)60(51(37)65)43-11-12-44(61)58-50(43)64/h6-10,27-31,43,54,57H,5,11-26,32H2,1-4H3,(H,55,62)(H,58,61,64).

What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide?

N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide has a molecular weight of 990.12 g/mol, XLogP of 4.50, 27 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(9-ethyl-3,6,6-trimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 167534206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).