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

C19H21ClN2O5 — CID 7706874

IUPAC2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide
SMILESCCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccccc2OC)cc1OC
InChIInChI=1S/C19H21ClN2O5/c1-4-26-19-14(20)9-13(10-17(19)25-3)11-21-27-12-18(23)22-15-7-5-6-8-16(15)24-2/h5-11H,4,12H2,1-3H3,(H,22,23)/b21-11-
InChIKeyYYBXAGKCJAZNLG-NHDPSOOVSA-N
MW392.84 g/mol
LogP3.75
Rot. Bonds9

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

2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide (PubChem CID 7706874) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide
PubChem CID7706874
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide
SMILESCCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccccc2OC)cc1OC
InChIInChI=1S/C19H21ClN2O5/c1-4-26-19-14(20)9-13(10-17(19)25-3)11-21-27-12-18(23)22-15-7-5-6-8-16(15)24-2/h5-11H,4,12H2,1-3H3,(H,22,23)/b21-11-
InChIKeyYYBXAGKCJAZNLG-NHDPSOOVSA-N
XLogP3.75
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
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

methyl 2-[[2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7706881
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7706853
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 28913373
N'-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 8932339
4-bromo-N-[(E)-[3-chloro-5-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126382945
2-[(E)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126373978
2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 126381158
N-(2-methoxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetamide
CID 6219592
N-[(E)-[3-chloro-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 126382340
2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 3922392
[2-(2-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253818
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-ethoxyphenyl)acetamide
CID 7703795

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide (CID 7706874) is 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide is CCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccccc2OC)cc1OC.
What is the InChIKey of 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide?
The InChIKey is YYBXAGKCJAZNLG-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-4-26-19-14(20)9-13(10-17(19)25-3)11-21-27-12-18(23)22-15-7-5-6-8-16(15)24-2/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-(2-methoxyphenyl)acetamide?
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide has a molecular weight of 392.84 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 7706874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).