2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide

C19H21ClN2O4 — CID 7706853

IUPAC2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
SMILESCCOc1c(Cl)cc(/C=N\OCC(=O)Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C19H21ClN2O4/c1-4-25-19-16(20)9-14(10-17(19)24-3)11-21-26-12-18(23)22-15-7-5-6-13(2)8-15/h5-11H,4,12H2,1-3H3,(H,22,23)/b21-11-
InChIKeyUODZNGIIQLDYSE-NHDPSOOVSA-N
MW376.84 g/mol
LogP4.04
Rot. Bonds8

About 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide

2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide (PubChem CID 7706853) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
PubChem CID7706853
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
SMILESCCOc1c(Cl)cc(/C=N\OCC(=O)Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C19H21ClN2O4/c1-4-25-19-16(20)9-14(10-17(19)24-3)11-21-26-12-18(23)22-15-7-5-6-13(2)8-15/h5-11H,4,12H2,1-3H3,(H,22,23)/b21-11-
InChIKeyUODZNGIIQLDYSE-NHDPSOOVSA-N
XLogP4.04
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
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-(3-methylanilino)-2-oxoethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate
CID 7683997
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide
CID 7706874
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
CID 895523
methyl 2-[[2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7706881
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220627
2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126206153
2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 126381158
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022
2-[(E)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126373978
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7665025
2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 3922392
N-[(E)-[3-chloro-5-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126262439

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide (CID 7706853) is 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide is CCOc1c(Cl)cc(/C=N\OCC(=O)Nc2cccc(C)c2)cc1OC.
What is the InChIKey of 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide?
The InChIKey is UODZNGIIQLDYSE-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-4-25-19-16(20)9-14(10-17(19)24-3)11-21-26-12-18(23)22-15-7-5-6-13(2)8-15/h5-11H,4,12H2,1-3H3,(H,22,23)/b21-11-.
What are the key properties of 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide?
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide has a molecular weight of 376.84 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 7706853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).