(2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

C48H61N7O9 — CID 167267206

About (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

(2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 167267206) has the molecular formula C48H61N7O9 and a molecular weight of 880.06 g/mol. Its IUPAC name is (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

• Compound Name: (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
• PubChem CID: 167267206
• Molecular Formula: C48H61N7O9
• Molecular Weight: 880.06 g/mol
• Exact Mass: 879.45
• IUPAC Name: (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
• SMILES: CC1(C)N[C@@H](C(=O)NC2CCC(C(=O)NCCOCCOCCOCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)[C@H](c2ccccc2)[C@@]12c1ccccc1NC2O
• InChI: InChI=1S/C48H61N7O9/c1-47(2)48(35-12-6-7-13-37(35)52-46(48)61)40(30-9-4-3-5-10-30)41(54-47)44(59)51-32-17-15-31(16-18-32)42(57)50-22-24-63-26-28-64-27-25-62-23-21-49-36-14-8-11-33-34(36)29-55(45(33)60)38-19-20-39(56)53-43(38)58/h3-14,31-32,38,40-41,46,49,52,54,61H,15-29H2,1-2H3,(H,50,57)(H,51,59)(H,53,56,58)/t31?,32?,38?,40-,41+,46?,48+/m0/s1
• InChIKey: GLFRKLYLULCHLJ-UBQXKIEWSA-N
• XLogP: 2.92
• TPSA: 208.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	880.06
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

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 (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

The IUPAC name of (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (CID 167267206) is (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.

What is the SMILES notation for (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

The canonical SMILES for (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is CC1(C)N[C@@H](C(=O)NC2CCC(C(=O)NCCOCCOCCOCCNc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)[C@H](c2ccccc2)[C@@]12c1ccccc1NC2O.

What is the InChIKey of (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

The InChIKey is GLFRKLYLULCHLJ-UBQXKIEWSA-N. The full InChI is InChI=1S/C48H61N7O9/c1-47(2)48(35-12-6-7-13-37(35)52-46(48)61)40(30-9-4-3-5-10-30)41(54-47)44(59)51-32-17-15-31(16-18-32)42(57)50-22-24-63-26-28-64-27-25-62-23-21-49-36-14-8-11-33-34(36)29-55(45(33)60)38-19-20-39(56)53-43(38)58/h3-14,31-32,38,40-41,46,49,52,54,61H,15-29H2,1-2H3,(H,50,57)(H,51,59)(H,53,56,58)/t31?,32?,38?,40-,41+,46?,48+/m0/s1.

What are the key properties of (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

(2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 880.06 g/mol, XLogP of 2.92, 18 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,3R,3'R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-2-hydroxy-5',5'-dimethyl-3'-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 167267206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).