[(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate

C19H20ClN3O5 — CID 91970379

IUPAC[(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate
SMILESCOc1ccc(OC/C(N)=N/OC(=O)CON=C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN3O5/c1-13(14-3-5-15(20)6-4-14)22-27-12-19(24)28-23-18(21)11-26-17-9-7-16(25-2)8-10-17/h3-10H,11-12H2,1-2H3,(H2,21,23)
InChIKeyMSAJXQCFGNTYFO-UHFFFAOYSA-N
MW405.84 g/mol
LogP2.98
Rot. Bonds9

About [(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate

[(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate (PubChem CID 91970379) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is [(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate.

Molecular Properties

Compound Name[(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate
PubChem CID91970379
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC Name[(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate
SMILESCOc1ccc(OC/C(N)=N/OC(=O)CON=C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN3O5/c1-13(14-3-5-15(20)6-4-14)22-27-12-19(24)28-23-18(21)11-26-17-9-7-16(25-2)8-10-17/h3-10H,11-12H2,1-2H3,(H2,21,23)
InChIKeyMSAJXQCFGNTYFO-UHFFFAOYSA-N
XLogP2.98
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate
CID 6149846
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate
CID 2913363
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate
CID 4994307
2-(4-chlorophenoxy)-N-(4-methoxyphenyl)acetohydrazide
CID 163509592
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348667
[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate
CID 5398505
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate?
The IUPAC name of [(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate (CID 91970379) is [(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate.
What is the SMILES notation for [(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate?
The canonical SMILES for [(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate is COc1ccc(OC/C(N)=N/OC(=O)CON=C(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate?
The InChIKey is MSAJXQCFGNTYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5/c1-13(14-3-5-15(20)6-4-14)22-27-12-19(24)28-23-18(21)11-26-17-9-7-16(25-2)8-10-17/h3-10H,11-12H2,1-2H3,(H2,21,23).
What are the key properties of [(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate?
[(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate has a molecular weight of 405.84 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate is sourced from PubChem (CID 91970379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).