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

C13H18N2O6 — CID 58964081

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide
SMILESO=CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H18N2O6/c16-6-8-21-10-9-20-7-4-14-11(17)3-5-15-12(18)1-2-13(15)19/h1-2,6H,3-5,7-10H2,(H,14,17)
InChIKeyLKZFVYFCXIKCPR-UHFFFAOYSA-N
MW298.30 g/mol
LogP-1.35
Rot. Bonds11

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide (PubChem CID 58964081) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide
PubChem CID58964081
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide
SMILESO=CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H18N2O6/c16-6-8-21-10-9-20-7-4-14-11(17)3-5-15-12(18)1-2-13(15)19/h1-2,6H,3-5,7-10H2,(H,14,17)
InChIKeyLKZFVYFCXIKCPR-UHFFFAOYSA-N
XLogP-1.35
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]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-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide (CID 58964081) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide is O=CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide?
The InChIKey is LKZFVYFCXIKCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c16-6-8-21-10-9-20-7-4-14-11(17)3-5-15-12(18)1-2-13(15)19/h1-2,6H,3-5,7-10H2,(H,14,17).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide has a molecular weight of 298.30 g/mol, XLogP of -1.35, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 58964081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).