2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide

C16H17N3O2 — CID 2695082

IUPAC2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2ccncc2)cc1
InChIInChI=1S/C16H17N3O2/c1-2-13-3-5-15(6-4-13)21-12-16(20)19-18-11-14-7-9-17-10-8-14/h3-11H,2,12H2,1H3,(H,19,20)
InChIKeyIVAIFRJOTKECCV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.17
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide

2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide (PubChem CID 2695082) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
PubChem CID2695082
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2ccncc2)cc1
InChIInChI=1S/C16H17N3O2/c1-2-13-3-5-15(6-4-13)21-12-16(20)19-18-11-14-7-9-17-10-8-14/h3-11H,2,12H2,1H3,(H,19,20)
InChIKeyIVAIFRJOTKECCV-UHFFFAOYSA-N
XLogP2.17
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416713
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 7994493
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6272283
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416702
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19169667
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide (CID 2695082) is 2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide is CCc1ccc(OCC(=O)NN=Cc2ccncc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide?
The InChIKey is IVAIFRJOTKECCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-13-3-5-15(6-4-13)21-12-16(20)19-18-11-14-7-9-17-10-8-14/h3-11H,2,12H2,1H3,(H,19,20).
What are the key properties of 2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide?
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide is sourced from PubChem (CID 2695082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).