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

C49H41N7O9 — CID 171502902

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

N-dibenzofuran-3-yl-N-[2-[[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 171502902) has the molecular formula C49H41N7O9 and a molecular weight of 871.91 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[2-[[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• PubChem CID: 171502902
• Molecular Formula: C49H41N7O9
• Molecular Weight: 871.91 g/mol
• Exact Mass: 871.30
• IUPAC Name: N-dibenzofuran-3-yl-N-[2-[[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCCCNC(=O)C(NC(=O)C(c4cccnc4)N(C(=O)c4ccco4)c4ccc5c(c4)oc4ccccc45)c4ccccc4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C49H41N7O9/c57-40-22-21-36(44(58)53-40)56-47(61)34-15-8-16-35(41(34)49(56)63)51-24-6-7-25-52-45(59)42(29-11-2-1-3-12-29)54-46(60)43(30-13-9-23-50-28-30)55(48(62)38-18-10-26-64-38)31-19-20-33-32-14-4-5-17-37(32)65-39(33)27-31/h1-5,8-20,23,26-28,36,42-43,51H,6-7,21-22,24-25H2,(H,52,59)(H,54,60)(H,53,57,58)
• InChIKey: NEGFWSGAQFEELO-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 213.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.91
LogP ≤ 5	6.23
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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 171502902) is N-dibenzofuran-3-yl-N-[2-[[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is O=C1CCC(N2C(=O)c3cccc(NCCCCNC(=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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The InChIKey is NEGFWSGAQFEELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N7O9/c57-40-22-21-36(44(58)53-40)56-47(61)34-15-8-16-35(41(34)49(56)63)51-24-6-7-25-52-45(59)42(29-11-2-1-3-12-29)54-46(60)43(30-13-9-23-50-28-30)55(48(62)38-18-10-26-64-38)31-19-20-33-32-14-4-5-17-37(32)65-39(33)27-31/h1-5,8-20,23,26-28,36,42-43,51H,6-7,21-22,24-25H2,(H,52,59)(H,54,60)(H,53,57,58).

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

N-dibenzofuran-3-yl-N-[2-[[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 871.91 g/mol, XLogP of 6.23, 15 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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxo-1-phenylethyl]amino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 171502902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).