3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione

C24H36N4O8 — CID 170639222

About 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione

3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 170639222) has the molecular formula C24H36N4O8 and a molecular weight of 508.57 g/mol. Its IUPAC name is 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
• PubChem CID: 170639222
• Molecular Formula: C24H36N4O8
• Molecular Weight: 508.57 g/mol
• Exact Mass: 508.25
• IUPAC Name: 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
• SMILES: C=C/C(NCCOCCOCCOCCOCCN)=C1/C(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=C/C
• InChI: InChI=1S/C24H36N4O8/c1-3-17-21(24(32)28(23(17)31)19-5-6-20(29)27-22(19)30)18(4-2)26-8-10-34-12-14-36-16-15-35-13-11-33-9-7-25/h3-4,19,26H,2,5-16,25H2,1H3,(H,27,29,30)/b17-3+,21-18-
• InChIKey: YMBBYPQIVOYWMP-JIUXHYLLSA-N
• XLogP: -0.84
• TPSA: 158.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.57
LogP ≤ 5	-0.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione (CID 170639222) is 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione is C=C/C(NCCOCCOCCOCCOCCN)=C1/C(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=C/C.

What is the InChIKey of 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?

The InChIKey is YMBBYPQIVOYWMP-JIUXHYLLSA-N. The full InChI is InChI=1S/C24H36N4O8/c1-3-17-21(24(32)28(23(17)31)19-5-6-20(29)27-22(19)30)18(4-2)26-8-10-34-12-14-36-16-15-35-13-11-33-9-7-25/h3-4,19,26H,2,5-16,25H2,1H3,(H,27,29,30)/b17-3+,21-18-.

What are the key properties of 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?

3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 508.57 g/mol, XLogP of -0.84, 17 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 170639222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).