N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

C18H20N2O3 — CID 108512103

IUPACN-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C18H20N2O3/c1-4-13-7-5-6-12(2)16(13)19-17(22)18(23)20(3)14-8-10-15(21)11-9-14/h5-11,21H,4H2,1-3H3,(H,19,22)
InChIKeyXPRKREADCZSASR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.86
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (PubChem CID 108512103) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
PubChem CID108512103
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C18H20N2O3/c1-4-13-7-5-6-12(2)16(13)19-17(22)18(23)20(3)14-8-10-15(21)11-9-14/h5-11,21H,4H2,1-3H3,(H,19,22)
InChIKeyXPRKREADCZSASR-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.86
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-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528473
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N'-(4-hydroxyphenyl)-N'-methyl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512267
N-(2-ethyl-6-methylphenyl)-N',N'-dipropyloxamide
CID 108512105
N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108512129
N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108502467
N-(4-hydroxyphenyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 28739159
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
N'-(2,6-diethylphenyl)-N-(2,3-dimethylphenyl)oxamide
CID 108511380
(Z)-2-cyano-3-[4-(dimethylamino)anilino]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850848
1-[bis(dimethylamino)methylidene]-3-(2-ethyl-6-methylphenyl)urea
CID 3050633
N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108512029

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (CID 108512103) is N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is CCc1cccc(C)c1NC(=O)C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The InChIKey is XPRKREADCZSASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-13-7-5-6-12(2)16(13)19-17(22)18(23)20(3)14-8-10-15(21)11-9-14/h5-11,21H,4H2,1-3H3,(H,19,22).
What are the key properties of N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide has a molecular weight of 312.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is sourced from PubChem (CID 108512103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).