3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide

C11H16N2O3 — CID 155058671

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide
SMILESCCNC(=O)C(C)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-4-12-11(16)7(2)8(3)13-9(14)5-6-10(13)15/h5-8H,4H2,1-3H3,(H,12,16)
InChIKeyLQLPLHXBMKGLKT-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.07
Rot. Bonds4

About 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide

3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide (PubChem CID 155058671) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide
PubChem CID155058671
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide
SMILESCCNC(=O)C(C)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-4-12-11(16)7(2)8(3)13-9(14)5-6-10(13)15/h5-8H,4H2,1-3H3,(H,12,16)
InChIKeyLQLPLHXBMKGLKT-UHFFFAOYSA-N
XLogP0.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-2-(2,5-dioxopyrrol-1-yl)ethyl] N-ethylcarbamate
CID 174539763
3-amino-2-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide
CID 146319849
2-(2,5-dioxopyrrol-1-yl)pentanehydrazide
CID 175837532
methyl (2S)-2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoate
CID 101212710
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
N-ethyl-2-pyrrol-1-ylpropanamide
CID 61478012
N-ethyl-4-methyl-2-(methylamino)pentanamide
CID 155260519
2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
CID 88555469
ethane;N-ethyl-2-methylbutanamide
CID 145471862
2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide
CID 58340888
N-ethyl-2-(2-methoxyethoxy)propanamide
CID 169160574
1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
CID 61250629

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide (CID 155058671) is 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide is CCNC(=O)C(C)C(C)N1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide?
The InChIKey is LQLPLHXBMKGLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-12-11(16)7(2)8(3)13-9(14)5-6-10(13)15/h5-8H,4H2,1-3H3,(H,12,16).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide?
3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide has a molecular weight of 224.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide is sourced from PubChem (CID 155058671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).