2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

C19H21ClN2O3 — CID 134051294

IUPAC2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CO/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-3-24-18-10-6-16(7-11-18)13-22(2)19(23)14-25-21-12-15-4-8-17(20)9-5-15/h4-12H,3,13-14H2,1-2H3/b21-12+
InChIKeyGLXMMUUTJCDEJK-CIAFOILYSA-N
MW360.84 g/mol
LogP3.75
Rot. Bonds8

About 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 134051294) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
PubChem CID134051294
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CO/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-3-24-18-10-6-16(7-11-18)13-22(2)19(23)14-25-21-12-15-4-8-17(20)9-5-15/h4-12H,3,13-14H2,1-2H3/b21-12+
InChIKeyGLXMMUUTJCDEJK-CIAFOILYSA-N
XLogP3.75
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
[(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate
CID 6873737
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55304084
2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid
CID 54941021
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7670002
2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
CID 78906847
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (CID 134051294) is 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is CCOc1ccc(CN(C)C(=O)CO/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is GLXMMUUTJCDEJK-CIAFOILYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-24-18-10-6-16(7-11-18)13-22(2)19(23)14-25-21-12-15-4-8-17(20)9-5-15/h4-12H,3,13-14H2,1-2H3/b21-12+.
What are the key properties of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 360.84 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 134051294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).