2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide

C17H24ClN3O2 — CID 42942869

IUPAC2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CO/N=C(\N)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12-3-9-15(10-4-12)21(2)16(22)11-23-20-17(19)13-5-7-14(18)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,19,20)
InChIKeyZWUXPKMRKRLMDZ-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.01
Rot. Bonds5

About 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 42942869) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID42942869
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CO/N=C(\N)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12-3-9-15(10-4-12)21(2)16(22)11-23-20-17(19)13-5-7-14(18)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,19,20)
InChIKeyZWUXPKMRKRLMDZ-UHFFFAOYSA-N
XLogP3.01
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 74675316
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8533242
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide
CID 51654514
4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 126804071
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 47485540
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8722080
3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76871490
1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one
CID 63568414
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8520315
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 24518982
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 42942869) is 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)CO/N=C(\N)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is ZWUXPKMRKRLMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12-3-9-15(10-4-12)21(2)16(22)11-23-20-17(19)13-5-7-14(18)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,19,20).
What are the key properties of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 337.85 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 42942869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).