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

C12H18N2O5 — CID 58005095

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
SMILESCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O5/c1-18-8-9-19-7-5-13-10(15)4-6-14-11(16)2-3-12(14)17/h2-3H,4-9H2,1H3,(H,13,15)
InChIKeyJCTGVOWJPZBVHT-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.92
Rot. Bonds9

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide (PubChem CID 58005095) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
PubChem CID58005095
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
SMILESCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O5/c1-18-8-9-19-7-5-13-10(15)4-6-14-11(16)2-3-12(14)17/h2-3H,4-9H2,1H3,(H,13,15)
InChIKeyJCTGVOWJPZBVHT-UHFFFAOYSA-N
XLogP-0.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.92
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide (CID 58005095) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide is COCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The InChIKey is JCTGVOWJPZBVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-18-8-9-19-7-5-13-10(15)4-6-14-11(16)2-3-12(14)17/h2-3H,4-9H2,1H3,(H,13,15).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide has a molecular weight of 270.28 g/mol, XLogP of -0.92, 9 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-[2-(2-methoxyethoxy)ethyl]propanamide is sourced from PubChem (CID 58005095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).