N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide

C17H15N3O3 — CID 108501500

IUPACN'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C17H15N3O3/c18-11-13-3-1-2-4-15(13)20-17(23)16(22)19-10-9-12-5-7-14(21)8-6-12/h1-8,21H,9-10H2,(H,19,22)(H,20,23)
InChIKeyMZRKMBFQXNKFTB-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.56
Rot. Bonds4

About N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide

N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide (PubChem CID 108501500) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
PubChem CID108501500
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C17H15N3O3/c18-11-13-3-1-2-4-15(13)20-17(23)16(22)19-10-9-12-5-7-14(21)8-6-12/h1-8,21H,9-10H2,(H,19,22)(H,20,23)
InChIKeyMZRKMBFQXNKFTB-UHFFFAOYSA-N
XLogP1.56
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-cyano-3-(2-cyanoanilino)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 108829117
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500407
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide
CID 108501621
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746
N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837423
N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222824
N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503034
N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 155801263
N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503199
N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide
CID 119103412

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide (CID 108501500) is N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The InChIKey is MZRKMBFQXNKFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-11-13-3-1-2-4-15(13)20-17(23)16(22)19-10-9-12-5-7-14(21)8-6-12/h1-8,21H,9-10H2,(H,19,22)(H,20,23).
What are the key properties of N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide has a molecular weight of 309.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108501500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).