2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide

C16H17N3O2 — CID 3296653

IUPAC2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESCc1cccc(C)c1OCC(=O)NN=Cc1ccncc1
InChIInChI=1S/C16H17N3O2/c1-12-4-3-5-13(2)16(12)21-11-15(20)19-18-10-14-6-8-17-9-7-14/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyZNIWMCGBIUREHB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.23
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide

2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide (PubChem CID 3296653) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
PubChem CID3296653
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESCc1cccc(C)c1OCC(=O)NN=Cc1ccncc1
InChIInChI=1S/C16H17N3O2/c1-12-4-3-5-13(2)16(12)21-11-15(20)19-18-10-14-6-8-17-9-7-14/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyZNIWMCGBIUREHB-UHFFFAOYSA-N
XLogP2.23
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.23
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-(2,6-dimethylphenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 5403335
2-(2-bromo-4,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 28628688
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748198
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135615101
2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide
CID 71950785
2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 6092833
2-(2,6-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924390
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 137166773
2-(2,6-dimethylphenoxy)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 136661504
2-(2,6-dimethylphenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135588975
2-(2,6-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 909241

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide (CID 3296653) is 2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide is Cc1cccc(C)c1OCC(=O)NN=Cc1ccncc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide?
The InChIKey is ZNIWMCGBIUREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-4-3-5-13(2)16(12)21-11-15(20)19-18-10-14-6-8-17-9-7-14/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide?
2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide is sourced from PubChem (CID 3296653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).