N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide

C19H19ClN2O4 — CID 124552082

IUPACN-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide
SMILESC=CCOc1ccc(/C=N/OCC(=O)Nc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H19ClN2O4/c1-3-10-25-17-9-4-14(11-18(17)24-2)12-21-26-13-19(23)22-16-7-5-15(20)6-8-16/h3-9,11-12H,1,10,13H2,2H3,(H,22,23)/b21-12+
InChIKeyCYGDFVVTDXSBLS-CIAFOILYSA-N
MW374.82 g/mol
LogP3.90
Rot. Bonds9

About N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide

N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 124552082) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide
PubChem CID124552082
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC NameN-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide
SMILESC=CCOc1ccc(/C=N/OCC(=O)Nc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H19ClN2O4/c1-3-10-25-17-9-4-14(11-18(17)24-2)12-21-26-13-19(23)22-16-7-5-15(20)6-8-16/h3-9,11-12H,1,10,13H2,2H3,(H,22,23)/b21-12+
InChIKeyCYGDFVVTDXSBLS-CIAFOILYSA-N
XLogP3.90
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 126380130
N-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 4265176
N-(4-bromophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668804
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
N-(4-tert-butylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662805
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 9358682
N-[(E)-[3-bromo-4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126319907
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662824
N-(3-chloro-4-fluorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700193
2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 124551705
N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668894
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7663197

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide (CID 124552082) is N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide is C=CCOc1ccc(/C=N/OCC(=O)Nc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is CYGDFVVTDXSBLS-CIAFOILYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-3-10-25-17-9-4-14(11-18(17)24-2)12-21-26-13-19(23)22-16-7-5-15(20)6-8-16/h3-9,11-12H,1,10,13H2,2H3,(H,22,23)/b21-12+.
What are the key properties of N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide?
N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 374.82 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 124552082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).