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

C11H16N2O5 — CID 118521794

IUPAC3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCOCCN1C(=O)C=CC1=O)NCCO
InChIInChI=1S/C11H16N2O5/c14-6-4-12-9(15)3-7-18-8-5-13-10(16)1-2-11(13)17/h1-2,14H,3-8H2,(H,12,15)
InChIKeyCVKOEHZMXQNLMG-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.57
Rot. Bonds8

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

3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide (PubChem CID 118521794) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide
PubChem CID118521794
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCOCCN1C(=O)C=CC1=O)NCCO
InChIInChI=1S/C11H16N2O5/c14-6-4-12-9(15)3-7-18-8-5-13-10(16)1-2-11(13)17/h1-2,14H,3-8H2,(H,12,15)
InChIKeyCVKOEHZMXQNLMG-UHFFFAOYSA-N
XLogP-1.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
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-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide (CID 118521794) is 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide is O=C(CCOCCN1C(=O)C=CC1=O)NCCO.
What is the InChIKey of 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide?
The InChIKey is CVKOEHZMXQNLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-6-4-12-9(15)3-7-18-8-5-13-10(16)1-2-11(13)17/h1-2,14H,3-8H2,(H,12,15).
What are the key properties of 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide?
3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide has a molecular weight of 256.26 g/mol, XLogP of -1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 118521794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).