2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide

C17H19N3O2 — CID 4542749

IUPAC2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccccn1
InChIInChI=1S/C17H19N3O2/c1-12-8-13(2)10-15(9-12)22-11-17(21)20-19-14(3)16-6-4-5-7-18-16/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyLBWUWZDDVYCKMS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.62
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide

2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide (PubChem CID 4542749) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
PubChem CID4542749
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccccn1
InChIInChI=1S/C17H19N3O2/c1-12-8-13(2)10-15(9-12)22-11-17(21)20-19-14(3)16-6-4-5-7-18-16/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyLBWUWZDDVYCKMS-UHFFFAOYSA-N
XLogP2.62
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.62
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-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 6089555
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 9316764
trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 1154035
N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 1376060
2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
CID 135674748
2-(3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 927162
N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 5433101
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 40510549
(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide
CID 139074285
N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 46741812

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide (CID 4542749) is 2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide is CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccccn1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide?
The InChIKey is LBWUWZDDVYCKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-8-13(2)10-15(9-12)22-11-17(21)20-19-14(3)16-6-4-5-7-18-16/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide?
2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide is sourced from PubChem (CID 4542749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).