N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide

C17H23ClN2O3 — CID 108503847

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H23ClN2O3/c1-11-9-14(15(23-3)10-13(11)18)19-16(21)17(22)20(2)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,19,21)
InChIKeyXLGXTKJXTSDNNQ-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.39
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide (PubChem CID 108503847) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
PubChem CID108503847
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H23ClN2O3/c1-11-9-14(15(23-3)10-13(11)18)19-16(21)17(22)20(2)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,19,21)
InChIKeyXLGXTKJXTSDNNQ-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521016
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
CID 108528740
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 60615698
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 61488860
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113149007
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523071
N'-cyclohexyl-N-(2,4-difluorophenyl)-N'-methyloxamide
CID 108503869

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide (CID 108503847) is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide?
The InChIKey is XLGXTKJXTSDNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11-9-14(15(23-3)10-13(11)18)19-16(21)17(22)20(2)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,19,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide has a molecular weight of 338.84 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide is sourced from PubChem (CID 108503847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).