2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide

C19H22N2O4 — CID 3392833

IUPAC2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
SMILESCCOc1ccc(C=NOCC(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C19H22N2O4/c1-3-23-17-11-10-15(12-18(17)24-4-2)13-20-25-14-19(22)21-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H,21,22)
InChIKeyABJNJFBKGOTAPD-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.47
Rot. Bonds9

About 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide

2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide (PubChem CID 3392833) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
PubChem CID3392833
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
SMILESCCOc1ccc(C=NOCC(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C19H22N2O4/c1-3-23-17-11-10-15(12-18(17)24-4-2)13-20-25-14-19(22)21-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H,21,22)
InChIKeyABJNJFBKGOTAPD-UHFFFAOYSA-N
XLogP3.47
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.47
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'}

Analyze 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 124551713
2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 126381158
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482
2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 126382144
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 3371511
2-[2-ethoxy-4-[(E)-ethoxyiminomethyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 24542208
2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 124551705
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662824
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 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The IUPAC name of 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide (CID 3392833) is 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide is CCOc1ccc(C=NOCC(=O)Nc2ccccc2)cc1OCC.
What is the InChIKey of 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The InChIKey is ABJNJFBKGOTAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-23-17-11-10-15(12-18(17)24-4-2)13-20-25-14-19(22)21-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H,21,22).
What are the key properties of 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide has a molecular weight of 342.40 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide is sourced from PubChem (CID 3392833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).