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

C11H16N2O4 — CID 58332974

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
SMILESCCOC(C)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O4/c1-3-17-8(2)12-9(14)6-7-13-10(15)4-5-11(13)16/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyNZMJCMJQHBHBDB-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.20
Rot. Bonds6

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

3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide (PubChem CID 58332974) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
PubChem CID58332974
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
SMILESCCOC(C)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O4/c1-3-17-8(2)12-9(14)6-7-13-10(15)4-5-11(13)16/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyNZMJCMJQHBHBDB-UHFFFAOYSA-N
XLogP-0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide (CID 58332974) is 3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide is CCOC(C)NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide?
The InChIKey is NZMJCMJQHBHBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-17-8(2)12-9(14)6-7-13-10(15)4-5-11(13)16/h4-5,8H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide has a molecular weight of 240.26 g/mol, XLogP of -0.20, 6 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-(1-ethoxyethyl)propanamide is sourced from PubChem (CID 58332974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).