N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

C47H37N7O9 — CID 171502868

About N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 171502868) has the molecular formula C47H37N7O9 and a molecular weight of 843.85 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• PubChem CID: 171502868
• Molecular Formula: C47H37N7O9
• Molecular Weight: 843.85 g/mol
• Exact Mass: 843.27
• IUPAC Name: N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCNC(=O)[C@@H](NC(=O)[C@@H](c4cccnc4)N(C(=O)c4ccco4)c4ccc5c(c4)oc4ccccc45)c4ccccc4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C47H37N7O9/c55-38-20-19-34(42(56)51-38)54-45(59)32-13-6-14-33(39(32)47(54)61)49-22-23-50-43(57)40(27-9-2-1-3-10-27)52-44(58)41(28-11-7-21-48-26-28)53(46(60)36-16-8-24-62-36)29-17-18-31-30-12-4-5-15-35(30)63-37(31)25-29/h1-18,21,24-26,34,40-41,49H,19-20,22-23H2,(H,50,57)(H,52,58)(H,51,55,56)/t34?,40-,41+/m0/s1
• InChIKey: BNDMQSDJMXGXBJ-LURLIZNKSA-N
• XLogP: 5.45
• TPSA: 213.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	843.85
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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 N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The IUPAC name of N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 171502868) is N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

What is the SMILES notation for N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The canonical SMILES for N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is O=C1CCC(N2C(=O)c3cccc(NCCNC(=O)[C@@H](NC(=O)[C@@H](c4cccnc4)N(C(=O)c4ccco4)c4ccc5c(c4)oc4ccccc45)c4ccccc4)c3C2=O)C(=O)N1.

What is the InChIKey of N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The InChIKey is BNDMQSDJMXGXBJ-LURLIZNKSA-N. The full InChI is InChI=1S/C47H37N7O9/c55-38-20-19-34(42(56)51-38)54-45(59)32-13-6-14-33(39(32)47(54)61)49-22-23-50-43(57)40(27-9-2-1-3-10-27)52-44(58)41(28-11-7-21-48-26-28)53(46(60)36-16-8-24-62-36)29-17-18-31-30-12-4-5-15-35(30)63-37(31)25-29/h1-18,21,24-26,34,40-41,49H,19-20,22-23H2,(H,50,57)(H,52,58)(H,51,55,56)/t34?,40-,41+/m0/s1.

What are the key properties of N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 843.85 g/mol, XLogP of 5.45, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-N-[(1R)-2-[[(1S)-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 171502868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).