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

C21H25N3O3 — CID 7665428

IUPAC2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C=N\OCC(=O)Nc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C21H25N3O3/c1-14(2)17-6-8-18(9-7-17)23-21(26)13-27-22-12-20(25)24-19-10-5-15(3)11-16(19)4/h5-12,14H,13H2,1-4H3,(H,23,26)(H,24,25)/b22-12-
InChIKeyMHTNGDFCJYWALK-UUYOSTAYSA-N
MW367.45 g/mol
LogP4.01
Rot. Bonds7

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

2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 7665428) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide
PubChem CID7665428
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C=N\OCC(=O)Nc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C21H25N3O3/c1-14(2)17-6-8-18(9-7-17)23-21(26)13-27-22-12-20(25)24-19-10-5-15(3)11-16(19)4/h5-12,14H,13H2,1-4H3,(H,23,26)(H,24,25)/b22-12-
InChIKeyMHTNGDFCJYWALK-UUYOSTAYSA-N
XLogP4.01
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.01
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

2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7665698
N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665896
N-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665884
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide
CID 60528918
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(E)-[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 6904540
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666986
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 7666877
1-N'-(2,4-dimethylphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981229
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 6909247
(2Z)-N-(2,4-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethoxyimino]acetamide
CID 7666059

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide (CID 7665428) is 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide is Cc1ccc(NC(=O)/C=N\OCC(=O)Nc2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is MHTNGDFCJYWALK-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(2)17-6-8-18(9-7-17)23-21(26)13-27-22-12-20(25)24-19-10-5-15(3)11-16(19)4/h5-12,14H,13H2,1-4H3,(H,23,26)(H,24,25)/b22-12-.
What are the key properties of 2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide?
2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 4.01, 7 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-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7665428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).