3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide

C21H34N4O9 — CID 135251971

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide
SMILESCOCCOCCN(CC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)COCCOC
InChIInChI=1S/C21H34N4O9/c1-31-11-13-33-10-9-24(21(30)16-34-14-12-32-2)15-18(27)23-7-6-22-17(26)5-8-25-19(28)3-4-20(25)29/h3-4H,5-16H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHMDOCYMCNANLSX-UHFFFAOYSA-N
MW486.52 g/mol
LogP-2.31
Rot. Bonds19

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide (PubChem CID 135251971) has the molecular formula C21H34N4O9 and a molecular weight of 486.52 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide
PubChem CID135251971
Molecular FormulaC21H34N4O9
Molecular Weight486.52 g/mol
Exact Mass486.23
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide
SMILESCOCCOCCN(CC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)COCCOC
InChIInChI=1S/C21H34N4O9/c1-31-11-13-33-10-9-24(21(30)16-34-14-12-32-2)15-18(27)23-7-6-22-17(26)5-8-25-19(28)3-4-20(25)29/h3-4H,5-16H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHMDOCYMCNANLSX-UHFFFAOYSA-N
XLogP-2.31
TPSA152.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 5-2.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N,N'-((Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide)
CID 59628078
DOTA-PEG11-MAL, TFA salt
CID 155906810
6-[[2-[2-[2-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide
CID 20710719
N',N'-bis[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide
CID 21059338
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 22964483
2-[[2-[2-[2-[2-(2,5-Dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethoxy]acetate
CID 23545232
m-PEG4-Mal
CID 51341049
m-PEG8-Mal
CID 51341050
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(methylamino)-2-oxoethoxy]ethyl]propanamide
CID 57648845
N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide
CID 58253076
N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide
CID 58331274
4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide
CID 58340915

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide (CID 135251971) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide is COCCOCCN(CC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)COCCOC.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide?
The InChIKey is HMDOCYMCNANLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O9/c1-31-11-13-33-10-9-24(21(30)16-34-14-12-32-2)15-18(27)23-7-6-22-17(26)5-8-25-19(28)3-4-20(25)29/h3-4H,5-16H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide has a molecular weight of 486.52 g/mol, XLogP of -2.31, 19 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 135251971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).