3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide

C12H18N2O4 — CID 58785854

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide
SMILESCCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O4/c1-2-8-18-9-6-13-10(15)5-7-14-11(16)3-4-12(14)17/h3-4H,2,5-9H2,1H3,(H,13,15)
InChIKeyASWGLSDBMYYAJM-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.16
Rot. Bonds8

About 3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide

3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide (PubChem CID 58785854) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide
PubChem CID58785854
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide
SMILESCCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O4/c1-2-8-18-9-6-13-10(15)5-7-14-11(16)3-4-12(14)17/h3-4H,2,5-9H2,1H3,(H,13,15)
InChIKeyASWGLSDBMYYAJM-UHFFFAOYSA-N
XLogP-0.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[2-(2-aminoethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 91667266
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
Poly(oxy-1,2-ethanediyl), I+/--[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]propyl]-I-methoxy-
CID 58005097
1-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione
CID 22377694
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
1-[2-(2-Aminoethoxy)ethyl]pyrrole-2,5-dione
CID 53691548
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
CID 18345573
N-[2-[2-(dimethylamino)ethoxy]ethyl]prop-2-enamide
CID 20310793
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 21299486
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 21299489

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide (CID 58785854) is 3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide is CCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide?
The InChIKey is ASWGLSDBMYYAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-8-18-9-6-13-10(15)5-7-14-11(16)3-4-12(14)17/h3-4H,2,5-9H2,1H3,(H,13,15).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide has a molecular weight of 254.29 g/mol, XLogP of -0.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide is sourced from PubChem (CID 58785854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).