3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide

C13H20N2O5 — CID 58005097

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide
SMILESCOCCOCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O5/c1-19-9-10-20-8-2-6-14-11(16)5-7-15-12(17)3-4-13(15)18/h3-4H,2,5-10H2,1H3,(H,14,16)
InChIKeyBMNSFBSWWZFCPT-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.53
Rot. Bonds10

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

3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide (PubChem CID 58005097) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide
PubChem CID58005097
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide
SMILESCOCCOCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O5/c1-19-9-10-20-8-2-6-14-11(16)5-7-15-12(17)3-4-13(15)18/h3-4H,2,5-10H2,1H3,(H,14,16)
InChIKeyBMNSFBSWWZFCPT-UHFFFAOYSA-N
XLogP-0.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
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
HO-PEG-Mal, MW 2,000
CID 68311348
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
N-(3-(2,3-Bis(2-methoxyethoxy)propoxy)propyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 122413883
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 21299486
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 21299489
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
Bis-(1,13-(3-maleimidopropionyl)amido)-4,7,10-trioxatridecane
CID 51340938
m-PEG4-Mal
CID 51341049
m-PEG8-Mal
CID 51341050
3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-propylpropanamide
CID 54593838

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide (CID 58005097) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide is COCCOCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide?
The InChIKey is BMNSFBSWWZFCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-19-9-10-20-8-2-6-14-11(16)5-7-15-12(17)3-4-13(15)18/h3-4H,2,5-10H2,1H3,(H,14,16).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide has a molecular weight of 284.31 g/mol, XLogP of -0.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide is sourced from PubChem (CID 58005097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).