N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide

C17H18N2O4 — CID 108514438

IUPACN-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2cc(C)ccc2O)cc1
InChIInChI=1S/C17H18N2O4/c1-3-23-13-7-5-12(6-8-13)18-16(21)17(22)19-14-10-11(2)4-9-15(14)20/h4-10,20H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyAWAHKDHHGQSPBU-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.68
Rot. Bonds4

About N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide

N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide (PubChem CID 108514438) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
PubChem CID108514438
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2cc(C)ccc2O)cc1
InChIInChI=1S/C17H18N2O4/c1-3-23-13-7-5-12(6-8-13)18-16(21)17(22)19-14-10-11(2)4-9-15(14)20/h4-10,20H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyAWAHKDHHGQSPBU-UHFFFAOYSA-N
XLogP2.68
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108519420
N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108522806
N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 45000868
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylanilino)prop-2-enamide
CID 108855756
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 108514525
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide (CID 108514438) is N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)Nc2cc(C)ccc2O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide?
The InChIKey is AWAHKDHHGQSPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-23-13-7-5-12(6-8-13)18-16(21)17(22)19-14-10-11(2)4-9-15(14)20/h4-10,20H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide?
N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide has a molecular weight of 314.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108514438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).