N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

C17H18N2O4 — CID 108528439

IUPACN-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCCOc1ccccc1NC(=O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O4/c1-3-23-15-7-5-4-6-14(15)18-16(21)17(22)19(2)12-8-10-13(20)11-9-12/h4-11,20H,3H2,1-2H3,(H,18,21)
InChIKeyDGKQRZTZRAHYBT-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.39
Rot. Bonds4

About N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (PubChem CID 108528439) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
PubChem CID108528439
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCCOc1ccccc1NC(=O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O4/c1-3-23-15-7-5-4-6-14(15)18-16(21)17(22)19(2)12-8-10-13(20)11-9-12/h4-11,20H,3H2,1-2H3,(H,18,21)
InChIKeyDGKQRZTZRAHYBT-UHFFFAOYSA-N
XLogP2.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-N',N'-dipropyloxamide
CID 108528706
methyl 2-[[2-(4-hydroxy-N-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512455
N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4608995
(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552249
N-(4-hydroxyphenyl)-N'-(2-propoxyphenyl)oxamide
CID 163646977
(E)-2,3-dichloro-4-(2-ethoxyanilino)-4-oxobut-2-enoic acid
CID 852528
N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 94291772
N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108531107
3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
CID 108991523
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-ethoxyphenyl)oxamide
CID 7192247

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The IUPAC name of N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (CID 108528439) is N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is CCOc1ccccc1NC(=O)C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The InChIKey is DGKQRZTZRAHYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-23-15-7-5-4-6-14(15)18-16(21)17(22)19(2)12-8-10-13(20)11-9-12/h4-11,20H,3H2,1-2H3,(H,18,21).
What are the key properties of N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide has a molecular weight of 314.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is sourced from PubChem (CID 108528439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).