N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide

C17H15N3O2 — CID 108986817

IUPACN'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cccc(C#N)c2)c(C)c1
InChIInChI=1S/C17H15N3O2/c1-11-6-7-15(12(2)8-11)20-17(22)16(21)19-14-5-3-4-13(9-14)10-18/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyUSAZEWDRSJVQAN-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.75
Rot. Bonds2

About N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide

N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide (PubChem CID 108986817) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide
PubChem CID108986817
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cccc(C#N)c2)c(C)c1
InChIInChI=1S/C17H15N3O2/c1-11-6-7-15(12(2)8-11)20-17(22)16(21)19-14-5-3-4-13(9-14)10-18/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyUSAZEWDRSJVQAN-UHFFFAOYSA-N
XLogP2.75
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.75
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-(4-cyanophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515416
N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515470
N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121265
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
2-(3-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266441
1-(2-bromo-4-methylphenyl)-3-(3-cyanophenyl)urea
CID 43132948
N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109127539
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314747
1-(4-chloro-2-methylphenyl)-3-(3-cyanophenyl)thiourea
CID 46924121

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide?
The IUPAC name of N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide (CID 108986817) is N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2cccc(C#N)c2)c(C)c1.
What is the InChIKey of N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide?
The InChIKey is USAZEWDRSJVQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-6-7-15(12(2)8-11)20-17(22)16(21)19-14-5-3-4-13(9-14)10-18/h3-9H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide?
N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide has a molecular weight of 293.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide is sourced from PubChem (CID 108986817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).