phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate

C18H17NO5 — CID 8926169

IUPACphenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
SMILESCOc1ccc(/C=N\OCC(=O)OCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17NO5/c1-22-16-9-7-14(8-10-16)11-19-24-13-18(21)23-12-17(20)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b19-11-
InChIKeyOVOYVMOYIHOHND-ODLFYWEKSA-N
MW327.34 g/mol
LogP2.47
Rot. Bonds8

About phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate

phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate (PubChem CID 8926169) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate.

Molecular Properties

Compound Namephenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
PubChem CID8926169
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namephenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
SMILESCOc1ccc(/C=N\OCC(=O)OCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17NO5/c1-22-16-9-7-14(8-10-16)11-19-24-13-18(21)23-12-17(20)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b19-11-
InChIKeyOVOYVMOYIHOHND-ODLFYWEKSA-N
XLogP2.47
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-chlorophenyl)-2-oxoethyl] 2-[(4-methoxyphenyl)methylideneamino]oxyacetate
CID 2384762
[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 42901512
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8925830
(2,6-dichlorophenyl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926002
[2-(2-acetylanilino)-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8925856
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8569856
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8925967
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926147
benzyl 2-[(E)-[(E)-3-(4-methoxyphenyl)-2-methylprop-2-enylidene]amino]oxyacetate
CID 24858517
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926110
[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate
CID 58710916
[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 42976664

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate?
The IUPAC name of phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate (CID 8926169) is phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate.
What is the SMILES notation for phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate?
The canonical SMILES for phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate is COc1ccc(/C=N\OCC(=O)OCC(=O)c2ccccc2)cc1.
What is the InChIKey of phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate?
The InChIKey is OVOYVMOYIHOHND-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H17NO5/c1-22-16-9-7-14(8-10-16)11-19-24-13-18(21)23-12-17(20)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b19-11-.
What are the key properties of phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate?
phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate has a molecular weight of 327.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate is sourced from PubChem (CID 8926169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).