N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide

C49H55F2N5O12 — CID 163732268

About N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 163732268) has the molecular formula C49H55F2N5O12 and a molecular weight of 944.00 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
• PubChem CID: 163732268
• Molecular Formula: C49H55F2N5O12
• Molecular Weight: 944.00 g/mol
• Exact Mass: 943.38
• IUPAC Name: N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(CCCCCCOCCOCCOCCOCCCC(=O)c4cc5cc(N6CCC(O)(C(=O)NCc7cc(F)cc(F)c7)C6=O)ccc5[nH]4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C49H55F2N5O12/c50-34-25-31(26-35(51)29-34)30-52-47(62)49(64)15-16-55(48(49)63)36-11-12-38-33(27-36)28-39(53-38)41(57)10-6-18-66-20-22-68-24-23-67-21-19-65-17-4-2-1-3-7-32-8-5-9-37-43(32)46(61)56(45(37)60)40-13-14-42(58)54-44(40)59/h5,8-9,11-12,25-29,40,53,64H,1-4,6-7,10,13-24,30H2,(H,52,62)(H,54,58,59)
• InChIKey: LAPMHQFHXHMVGG-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 222.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.00
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 163732268) is N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide is O=C1CCC(N2C(=O)c3cccc(CCCCCCOCCOCCOCCOCCCC(=O)c4cc5cc(N6CCC(O)(C(=O)NCc7cc(F)cc(F)c7)C6=O)ccc5[nH]4)c3C2=O)C(=O)N1.

What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide?

The InChIKey is LAPMHQFHXHMVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H55F2N5O12/c50-34-25-31(26-35(51)29-34)30-52-47(62)49(64)15-16-55(48(49)63)36-11-12-38-33(27-36)28-39(53-38)41(57)10-6-18-66-20-22-68-24-23-67-21-19-65-17-4-2-1-3-7-32-8-5-9-37-43(32)46(61)56(45(37)60)40-13-14-42(58)54-44(40)59/h5,8-9,11-12,25-29,40,53,64H,1-4,6-7,10,13-24,30H2,(H,52,62)(H,54,58,59).

What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide?

N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 944.00 g/mol, XLogP of 4.46, 26 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-difluorophenyl)methyl]-1-[2-[4-[2-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexoxy]ethoxy]ethoxy]ethoxy]butanoyl]-1H-indol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 163732268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).