N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

C17H18N2O3 — CID 108528473

IUPACN-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O3/c1-11-5-4-6-12(2)15(11)18-16(21)17(22)19(3)13-7-9-14(20)10-8-13/h4-10,20H,1-3H3,(H,18,21)
InChIKeyJMBGMYZVPHJZHJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.61
Rot. Bonds2

About N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (PubChem CID 108528473) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
PubChem CID108528473
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O3/c1-11-5-4-6-12(2)15(11)18-16(21)17(22)19(3)13-7-9-14(20)10-8-13/h4-10,20H,1-3H3,(H,18,21)
InChIKeyJMBGMYZVPHJZHJ-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108512103
N'-(4-hydroxyphenyl)-N'-methyl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512267
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512455
N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528497
N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108502467
N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528439
N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide
CID 108513177
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521008
N'-tert-butyl-N-(2,6-dimethylphenyl)-N'-ethyloxamide
CID 108531366
N-(4-hydroxyphenyl)-2-iodo-N,3-dimethylbenzamide
CID 103750397
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (CID 108528473) is N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is Cc1cccc(C)c1NC(=O)C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The InChIKey is JMBGMYZVPHJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-5-4-6-12(2)15(11)18-16(21)17(22)19(3)13-7-9-14(20)10-8-13/h4-10,20H,1-3H3,(H,18,21).
What are the key properties of N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide has a molecular weight of 298.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is sourced from PubChem (CID 108528473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).