2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide

C20H23N3O3 — CID 7665698

IUPAC2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C=N\OCC(=O)Nc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-13-5-7-17(15(3)9-13)22-19(24)11-21-26-12-20(25)23-18-8-6-14(2)10-16(18)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)/b21-11-
InChIKeySNNYVTSUEZKLNC-NHDPSOOVSA-N
MW353.42 g/mol
LogP3.50
Rot. Bonds6

About 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide

2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide (PubChem CID 7665698) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide
PubChem CID7665698
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C=N\OCC(=O)Nc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-13-5-7-17(15(3)9-13)22-19(24)11-21-26-12-20(25)23-18-8-6-14(2)10-16(18)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)/b21-11-
InChIKeySNNYVTSUEZKLNC-NHDPSOOVSA-N
XLogP3.50
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
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

N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665896
2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7665428
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665884
N-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407
N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705663
(2Z)-N-(2,4-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethoxyimino]acetamide
CID 7666059
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 3371511
(2Z)-2-[(3-bromo-4-methoxyphenyl)methoxyimino]-N-(2,4-dimethylphenyl)acetamide
CID 9353788
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7644362
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926110
N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide (CID 7665698) is 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)/C=N\OCC(=O)Nc2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is SNNYVTSUEZKLNC-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-5-7-17(15(3)9-13)22-19(24)11-21-26-12-20(25)23-18-8-6-14(2)10-16(18)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)/b21-11-.
What are the key properties of 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide?
2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 7665698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).