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

C50H56F3N5O9 — CID 163415610

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

13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[(5R)-3-[2-[(4-methylphenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]tridecanamide (PubChem CID 163415610) has the molecular formula C50H56F3N5O9 and a molecular weight of 928.02 g/mol. Its IUPAC name is 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[(5R)-3-[2-[(4-methylphenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]tridecanamide.

Molecular Properties

• Compound Name: 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[(5R)-3-[2-[(4-methylphenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]tridecanamide
• PubChem CID: 163415610
• Molecular Formula: C50H56F3N5O9
• Molecular Weight: 928.02 g/mol
• Exact Mass: 927.40
• IUPAC Name: 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[(5R)-3-[2-[(4-methylphenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]tridecanamide
• SMILES: Cc1ccc(CN(C(=O)CN2C(=O)O[C@@]3(CCc4cc(NC(=O)CCCCCCCCCCCCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)ccc43)C2=O)[C@@H](C)C(F)(F)F)cc1
• InChI: InChI=1S/C50H56F3N5O9/c1-31-18-20-33(21-19-31)29-56(32(2)50(51,52)53)42(61)30-57-47(65)49(67-48(57)66)27-26-35-28-36(22-23-38(35)49)54-40(59)17-12-10-8-6-4-3-5-7-9-11-14-34-15-13-16-37-43(34)46(64)58(45(37)63)39-24-25-41(60)55-44(39)62/h13,15-16,18-23,28,32,39H,3-12,14,17,24-27,29-30H2,1-2H3,(H,54,59)(H,55,60,62)/t32-,39?,49+/m0/s1
• InChIKey: UVQQSCMOJWSXLI-SZSOGWLWSA-N
• XLogP: 7.97
• TPSA: 179.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.02
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-4-yl]-N-[(5R)-3-[2-[(4-methylphenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]tridecanamide?

The IUPAC name of 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[(5R)-3-[2-[(4-methylphenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]tridecanamide (CID 163415610) is 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[(5R)-3-[2-[(4-methylphenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]tridecanamide.

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

The canonical SMILES for 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[(5R)-3-[2-[(4-methylphenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]tridecanamide is Cc1ccc(CN(C(=O)CN2C(=O)O[C@@]3(CCc4cc(NC(=O)CCCCCCCCCCCCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)ccc43)C2=O)[C@@H](C)C(F)(F)F)cc1.

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

The InChIKey is UVQQSCMOJWSXLI-SZSOGWLWSA-N. The full InChI is InChI=1S/C50H56F3N5O9/c1-31-18-20-33(21-19-31)29-56(32(2)50(51,52)53)42(61)30-57-47(65)49(67-48(57)66)27-26-35-28-36(22-23-38(35)49)54-40(59)17-12-10-8-6-4-3-5-7-9-11-14-34-15-13-16-37-43(34)46(64)58(45(37)63)39-24-25-41(60)55-44(39)62/h13,15-16,18-23,28,32,39H,3-12,14,17,24-27,29-30H2,1-2H3,(H,54,59)(H,55,60,62)/t32-,39?,49+/m0/s1.

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

13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[(5R)-3-[2-[(4-methylphenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]tridecanamide has a molecular weight of 928.02 g/mol, XLogP of 7.97, 20 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[(5R)-3-[2-[(4-methylphenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]tridecanamide is sourced from PubChem (CID 163415610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).