2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide

C18H20N2O4 — CID 4682317

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
SMILESCCOc1ccc(C=NOCC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-3-23-16-10-9-14(11-17(16)22-2)12-19-24-13-18(21)20-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,20,21)
InChIKeyWZIUOIFEZDIEIE-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.08
Rot. Bonds8

About 2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide

2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide (PubChem CID 4682317) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
PubChem CID4682317
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
SMILESCCOc1ccc(C=NOCC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-3-23-16-10-9-14(11-17(16)22-2)12-19-24-13-18(21)20-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,20,21)
InChIKeyWZIUOIFEZDIEIE-UHFFFAOYSA-N
XLogP3.08
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.08
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-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
N-(4-tert-butylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662805
2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 126381158
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7662790
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7663197
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662824
2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 124551713
N-(4-bromophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668804
N-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3517800
N-[4-(difluoromethoxy)phenyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 6893064
N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide
CID 124552082
N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3945217

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide (CID 4682317) is 2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide is CCOc1ccc(C=NOCC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The InChIKey is WZIUOIFEZDIEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-23-16-10-9-14(11-17(16)22-2)12-19-24-13-18(21)20-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide has a molecular weight of 328.37 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide is sourced from PubChem (CID 4682317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).