N'-(4-acetylphenyl)-N-ethyloxamide

C12H14N2O3 — CID 108514755

IUPACN'-(4-acetylphenyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H14N2O3/c1-3-13-11(16)12(17)14-10-6-4-9(5-7-10)8(2)15/h4-7H,3H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyVGWJYTYPKPHJGY-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.96
Rot. Bonds3

About N'-(4-acetylphenyl)-N-ethyloxamide

N'-(4-acetylphenyl)-N-ethyloxamide (PubChem CID 108514755) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N'-(4-acetylphenyl)-N-ethyloxamide.

Molecular Properties

Compound NameN'-(4-acetylphenyl)-N-ethyloxamide
PubChem CID108514755
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN'-(4-acetylphenyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H14N2O3/c1-3-13-11(16)12(17)14-10-6-4-9(5-7-10)8(2)15/h4-7H,3H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyVGWJYTYPKPHJGY-UHFFFAOYSA-N
XLogP0.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511377
N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108514776
N-(4-acetylphenyl)-N'-tert-butyloxamide
CID 108506817
N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide
CID 3329908
N-(4-acetylphenyl)ethanethioamide;propane
CID 143275437
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetylphenyl)-N-ethyloxamide?
The IUPAC name of N'-(4-acetylphenyl)-N-ethyloxamide (CID 108514755) is N'-(4-acetylphenyl)-N-ethyloxamide.
What is the SMILES notation for N'-(4-acetylphenyl)-N-ethyloxamide?
The canonical SMILES for N'-(4-acetylphenyl)-N-ethyloxamide is CCNC(=O)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N'-(4-acetylphenyl)-N-ethyloxamide?
The InChIKey is VGWJYTYPKPHJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-13-11(16)12(17)14-10-6-4-9(5-7-10)8(2)15/h4-7H,3H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N'-(4-acetylphenyl)-N-ethyloxamide?
N'-(4-acetylphenyl)-N-ethyloxamide has a molecular weight of 234.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetylphenyl)-N-ethyloxamide is sourced from PubChem (CID 108514755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).