5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide

C49H55N7O15 — CID 167039338

About 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide

5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 167039338) has the molecular formula C49H55N7O15 and a molecular weight of 982.01 g/mol. Its IUPAC name is 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 167039338
• Molecular Formula: C49H55N7O15
• Molecular Weight: 982.01 g/mol
• Exact Mass: 981.38
• IUPAC Name: 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide
• SMILES: CN(C)C(=O)c1ccc(-c2cc(C(=O)NCC3CCc4ccc(C(=O)NCCOCCOCCOCCOCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc43)no2)cc1O
• InChI: InChI=1S/C49H55N7O15/c1-55(2)47(63)33-11-10-30(25-38(33)57)40-26-36(54-71-40)45(61)52-27-32-9-7-29-6-8-31(24-35(29)32)44(60)51-15-17-67-19-21-69-23-22-68-20-18-66-16-14-50-42(59)28-70-39-5-3-4-34-43(39)49(65)56(48(34)64)37-12-13-41(58)53-46(37)62/h3-6,8,10-11,24-26,32,37,57H,7,9,12-23,27-28H2,1-2H3,(H,50,59)(H,51,60)(H,52,61)(H,53,58,62)
• InChIKey: YQDZOOPOIDJXNJ-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 283.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.01
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide (CID 167039338) is 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide is CN(C)C(=O)c1ccc(-c2cc(C(=O)NCC3CCc4ccc(C(=O)NCCOCCOCCOCCOCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc43)no2)cc1O.

What is the InChIKey of 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is YQDZOOPOIDJXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H55N7O15/c1-55(2)47(63)33-11-10-30(25-38(33)57)40-26-36(54-71-40)45(61)52-27-32-9-7-29-6-8-31(24-35(29)32)44(60)51-15-17-67-19-21-69-23-22-68-20-18-66-16-14-50-42(59)28-70-39-5-3-4-34-43(39)49(65)56(48(34)64)37-12-13-41(58)53-46(37)62/h3-6,8,10-11,24-26,32,37,57H,7,9,12-23,27-28H2,1-2H3,(H,50,59)(H,51,60)(H,52,61)(H,53,58,62).

What are the key properties of 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide?

5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 982.01 g/mol, XLogP of 1.60, 25 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167039338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).