N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide

C13H17N3O3 — CID 21212730

IUPACN'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C/c1ccc(OCC)cc1
InChIInChI=1S/C13H17N3O3/c1-3-14-12(17)13(18)16-15-9-10-5-7-11(8-6-10)19-4-2/h5-9H,3-4H2,1-2H3,(H,14,17)(H,16,18)/b15-9+
InChIKeyVRLJXXYCHXYEMA-OQLLNIDSSA-N
MW263.30 g/mol
LogP0.67
Rot. Bonds5

About N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide

N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide (PubChem CID 21212730) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide
PubChem CID21212730
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C/c1ccc(OCC)cc1
InChIInChI=1S/C13H17N3O3/c1-3-14-12(17)13(18)16-15-9-10-5-7-11(8-6-10)19-4-2/h5-9H,3-4H2,1-2H3,(H,14,17)(H,16,18)/b15-9+
InChIKeyVRLJXXYCHXYEMA-OQLLNIDSSA-N
XLogP0.67
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
CID 39388462
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989742
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
N'-[(E)-(4-butoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 21212792
N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6187350
N'-[(Z)-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 126157716
N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989325
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661133

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide?
The IUPAC name of N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide (CID 21212730) is N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide.
What is the SMILES notation for N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide?
The canonical SMILES for N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide is CCNC(=O)C(=O)N/N=C/c1ccc(OCC)cc1.
What is the InChIKey of N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide?
The InChIKey is VRLJXXYCHXYEMA-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-14-12(17)13(18)16-15-9-10-5-7-11(8-6-10)19-4-2/h5-9H,3-4H2,1-2H3,(H,14,17)(H,16,18)/b15-9+.
What are the key properties of N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide?
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide has a molecular weight of 263.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide is sourced from PubChem (CID 21212730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).