N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

C53H49N7O9 — CID 171502987

About N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 171502987) has the molecular formula C53H49N7O9 and a molecular weight of 928.02 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• PubChem CID: 171502987
• Molecular Formula: C53H49N7O9
• Molecular Weight: 928.02 g/mol
• Exact Mass: 927.36
• IUPAC Name: N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCCCCCCCNC(=O)C(NC(=O)C(c4cccnc4)N(C(=O)c4ccco4)c4ccc5c(c4)oc4ccccc45)c4ccccc4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C53H49N7O9/c61-44-26-25-40(48(62)57-44)60-51(65)38-19-12-20-39(45(38)53(60)67)55-28-10-3-1-2-4-11-29-56-49(63)46(33-15-6-5-7-16-33)58-50(64)47(34-17-13-27-54-32-34)59(52(66)42-22-14-30-68-42)35-23-24-37-36-18-8-9-21-41(36)69-43(37)31-35/h5-9,12-24,27,30-32,40,46-47,55H,1-4,10-11,25-26,28-29H2,(H,56,63)(H,58,64)(H,57,61,62)
• InChIKey: FGUOOZCHKKFPML-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 213.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	928.02
LogP ≤ 5	7.79
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-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The IUPAC name of N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 171502987) is N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-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-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The canonical SMILES for N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is O=C1CCC(N2C(=O)c3cccc(NCCCCCCCCNC(=O)C(NC(=O)C(c4cccnc4)N(C(=O)c4ccco4)c4ccc5c(c4)oc4ccccc45)c4ccccc4)c3C2=O)C(=O)N1.

What is the InChIKey of N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The InChIKey is FGUOOZCHKKFPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H49N7O9/c61-44-26-25-40(48(62)57-44)60-51(65)38-19-12-20-39(45(38)53(60)67)55-28-10-3-1-2-4-11-29-56-49(63)46(33-15-6-5-7-16-33)58-50(64)47(34-17-13-27-54-32-34)59(52(66)42-22-14-30-68-42)35-23-24-37-36-18-8-9-21-41(36)69-43(37)31-35/h5-9,12-24,27,30-32,40,46-47,55H,1-4,10-11,25-26,28-29H2,(H,56,63)(H,58,64)(H,57,61,62).

What are the key properties of N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

N-dibenzofuran-3-yl-N-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 928.02 g/mol, XLogP of 7.79, 19 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-[2-[[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 171502987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).