2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

C51H57N11O7 — CID 171800018

About 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (PubChem CID 171800018) has the molecular formula C51H57N11O7 and a molecular weight of 936.09 g/mol. Its IUPAC name is 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 171800018
• Molecular Formula: C51H57N11O7
• Molecular Weight: 936.09 g/mol
• Exact Mass: 935.44
• IUPAC Name: 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
• SMILES: CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nc4n5c(cnc(N)c35)/C=C/CCCN(CC3CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C3)CC(=O)N[C@@H]3CCC[C@@H]4C3)cc2)no1
• InChI: InChI=1S/C51H57N11O7/c1-51(2,3)39-23-40(58-69-39)55-42(64)20-29-11-13-31(14-12-29)44-45-46(52)53-24-35-10-5-4-6-19-59(28-43(65)54-33-9-7-8-32(21-33)47(57-44)61(35)45)25-30-26-60(27-30)34-15-16-36-37(22-34)50(68)62(49(36)67)38-17-18-41(63)56-48(38)66/h5,10-16,22-24,30,32-33,38H,4,6-9,17-21,25-28H2,1-3H3,(H2,52,53)(H,54,65)(H,55,58,64)(H,56,63,66)/b10-5+/t32-,33-,38?/m1/s1
• InChIKey: ZOEFGAGROHPRJZ-WMTXGFRESA-N
• XLogP: 5.23
• TPSA: 230.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	936.09
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (CID 171800018) is 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nc4n5c(cnc(N)c35)/C=C/CCCN(CC3CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C3)CC(=O)N[C@@H]3CCC[C@@H]4C3)cc2)no1.

What is the InChIKey of 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is ZOEFGAGROHPRJZ-WMTXGFRESA-N. The full InChI is InChI=1S/C51H57N11O7/c1-51(2,3)39-23-40(58-69-39)55-42(64)20-29-11-13-31(14-12-29)44-45-46(52)53-24-35-10-5-4-6-19-59(28-43(65)54-33-9-7-8-32(21-33)47(57-44)61(35)45)25-30-26-60(27-30)34-15-16-36-37(22-34)50(68)62(49(36)67)38-17-18-41(63)56-48(38)66/h5,10-16,22-24,30,32-33,38H,4,6-9,17-21,25-28H2,1-3H3,(H2,52,53)(H,54,65)(H,55,58,64)(H,56,63,66)/b10-5+/t32-,33-,38?/m1/s1.

What are the key properties of 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 936.09 g/mol, XLogP of 5.23, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2R,6R,14E)-19-amino-10-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-8-oxo-7,10,18,22,23-pentazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 171800018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).