3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane

C49H78N8O17 — CID 158223796

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane (PubChem CID 158223796) has the molecular formula C49H78N8O17 and a molecular weight of 1051.20 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane
• PubChem CID: 158223796
• Molecular Formula: C49H78N8O17
• Molecular Weight: 1051.20 g/mol
• Exact Mass: 1050.55
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane
• SMILES: C.C.C.C.CC(COCCOCC(C)OCC(C)NC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCN1C(=O)C=CC1=O.O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C25H36N4O9.C20H26N4O8.4CH4/c1-17(26-20(30)8-10-28-22(32)4-5-23(28)33)14-36-12-13-37-16-19(3)38-15-18(2)27-21(31)9-11-29-24(34)6-7-25(29)35;25-15(5-9-23-17(27)1-2-18(23)28)21-7-11-31-13-14-32-12-8-22-16(26)6-10-24-19(29)3-4-20(24)30;;;;/h4-7,17-19H,8-16H2,1-3H3,(H,26,30)(H,27,31);1-4H,5-14H2,(H,21,25)(H,22,26);4*1H4
• InChIKey: GDOFRLBUQLUIGO-UHFFFAOYSA-N
• XLogP: -0.51
• TPSA: 312.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 33
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.20
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane (CID 158223796) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane.

What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane?

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane is C.C.C.C.CC(COCCOCC(C)OCC(C)NC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCN1C(=O)C=CC1=O.O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane?

The InChIKey is GDOFRLBUQLUIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O9.C20H26N4O8.4CH4/c1-17(26-20(30)8-10-28-22(32)4-5-23(28)33)14-36-12-13-37-16-19(3)38-15-18(2)27-21(31)9-11-29-24(34)6-7-25(29)35;25-15(5-9-23-17(27)1-2-18(23)28)21-7-11-31-13-14-32-12-8-22-16(26)6-10-24-19(29)3-4-20(24)30;;;;/h4-7,17-19H,8-16H2,1-3H3,(H,26,30)(H,27,31);1-4H,5-14H2,(H,21,25)(H,22,26);4*1H4.

What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane?

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane has a molecular weight of 1051.20 g/mol, XLogP of -0.51, 33 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane is sourced from PubChem (CID 158223796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).