13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide

C58H62F4N6O10 — CID 163935850

About 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide

13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide (PubChem CID 163935850) has the molecular formula C58H62F4N6O10 and a molecular weight of 1079.16 g/mol. Its IUPAC name is 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide.

Molecular Properties

• Compound Name: 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide
• PubChem CID: 163935850
• Molecular Formula: C58H62F4N6O10
• Molecular Weight: 1079.16 g/mol
• Exact Mass: 1078.45
• IUPAC Name: 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide
• SMILES: C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)CCc4ccc(NC(=O)CCCCCCCCCCCCc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C58H62F4N6O10/c1-36(58(60,61)62)66(34-39-14-20-41(59)21-15-39)51(72)35-67-55(76)57(78-56(67)77)31-30-40-33-43(24-26-46(40)57)64-49(70)28-19-37-16-22-42(23-17-37)63-48(69)13-11-9-7-5-3-2-4-6-8-10-12-38-18-25-44-45(32-38)54(75)68(53(44)74)47-27-29-50(71)65-52(47)73/h14-18,20-26,32-33,36,47H,2-13,19,27-31,34-35H2,1H3,(H,63,69)(H,64,70)(H,65,71,73)/t36-,47?,57+/m0/s1
• InChIKey: RMSSINSJTCENJP-CJOKAGBPSA-N
• XLogP: 9.37
• TPSA: 208.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.16
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide?

The IUPAC name of 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide (CID 163935850) is 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide.

What is the SMILES notation for 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide?

The canonical SMILES for 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)CCc4ccc(NC(=O)CCCCCCCCCCCCc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)ccc32)C1=O)C(F)(F)F.

What is the InChIKey of 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide?

The InChIKey is RMSSINSJTCENJP-CJOKAGBPSA-N. The full InChI is InChI=1S/C58H62F4N6O10/c1-36(58(60,61)62)66(34-39-14-20-41(59)21-15-39)51(72)35-67-55(76)57(78-56(67)77)31-30-40-33-43(24-26-46(40)57)64-49(70)28-19-37-16-22-42(23-17-37)63-48(69)13-11-9-7-5-3-2-4-6-8-10-12-38-18-25-44-45(32-38)54(75)68(53(44)74)47-27-29-50(71)65-52(47)73/h14-18,20-26,32-33,36,47H,2-13,19,27-31,34-35H2,1H3,(H,63,69)(H,64,70)(H,65,71,73)/t36-,47?,57+/m0/s1.

What are the key properties of 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide?

13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide has a molecular weight of 1079.16 g/mol, XLogP of 9.37, 24 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[4-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-oxopropyl]phenyl]tridecanamide is sourced from PubChem (CID 163935850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).