2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide

C17H18N4O3 — CID 4507277

IUPAC2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NN=C(C)c2ccncc2)cc1
InChIInChI=1S/C17H18N4O3/c1-12(14-7-9-18-10-8-14)20-21-17(23)11-24-16-5-3-15(4-6-16)19-13(2)22/h3-10H,11H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyZNZIQYDYOAJZKN-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.96
Rot. Bonds6

About 2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide

2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide (PubChem CID 4507277) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide
PubChem CID4507277
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NN=C(C)c2ccncc2)cc1
InChIInChI=1S/C17H18N4O3/c1-12(14-7-9-18-10-8-14)20-21-17(23)11-24-16-5-3-15(4-6-16)19-13(2)22/h3-10H,11H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyZNZIQYDYOAJZKN-UHFFFAOYSA-N
XLogP1.96
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-phenylethylideneamino)acetamide
CID 3448907
N-[4-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2,2,2-trifluoroacetamide
CID 6271601
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 54265002
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158
2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 9359023
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide (CID 4507277) is 2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide is CC(=O)Nc1ccc(OCC(=O)NN=C(C)c2ccncc2)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide?
The InChIKey is ZNZIQYDYOAJZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12(14-7-9-18-10-8-14)20-21-17(23)11-24-16-5-3-15(4-6-16)19-13(2)22/h3-10H,11H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of 2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide?
2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide is sourced from PubChem (CID 4507277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).