[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate

C19H20N2O5 — CID 42901512

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
SMILESCOc1ccc(/C=N/OCC(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O5/c1-21(16-6-4-3-5-7-16)18(22)13-25-19(23)14-26-20-12-15-8-10-17(24-2)11-9-15/h3-12H,13-14H2,1-2H3/b20-12+
InChIKeyFHPRBNKDBULFAY-UDWIEESQSA-N
MW356.38 g/mol
LogP2.25
Rot. Bonds8

About [2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate

[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate (PubChem CID 42901512) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
PubChem CID42901512
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
SMILESCOc1ccc(/C=N/OCC(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O5/c1-21(16-6-4-3-5-7-16)18(22)13-25-19(23)14-26-20-12-15-8-10-17(24-2)11-9-15/h3-12H,13-14H2,1-2H3/b20-12+
InChIKeyFHPRBNKDBULFAY-UDWIEESQSA-N
XLogP2.25
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.25
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

phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926169
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide
CID 6892641
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8569856
[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 42976664
(2,6-dichlorophenyl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926002
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-methoxyphenyl)methylideneamino]oxyacetate
CID 2384762
[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 42921189
[2-(2-acetylanilino)-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8925856
[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 42975643
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide
CID 9163888
benzyl 2-[(E)-[(E)-3-(4-methoxyphenyl)-2-methylprop-2-enylidene]amino]oxyacetate
CID 24858517

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate (CID 42901512) is [2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate is COc1ccc(/C=N/OCC(=O)OCC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate?
The InChIKey is FHPRBNKDBULFAY-UDWIEESQSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-21(16-6-4-3-5-7-16)18(22)13-25-19(23)14-26-20-12-15-8-10-17(24-2)11-9-15/h3-12H,13-14H2,1-2H3/b20-12+.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate?
[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate has a molecular weight of 356.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate is sourced from PubChem (CID 42901512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).