N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide

C18H17N3O2 — CID 108501524

IUPACN-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccccc2C#N)c(C)c1
InChIInChI=1S/C18H17N3O2/c1-11-8-12(2)16(13(3)9-11)21-18(23)17(22)20-15-7-5-4-6-14(15)10-19/h4-9H,1-3H3,(H,20,22)(H,21,23)
InChIKeyKSJPVSMOCRMJOR-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.06
Rot. Bonds2

About N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide

N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 108501524) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID108501524
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccccc2C#N)c(C)c1
InChIInChI=1S/C18H17N3O2/c1-11-8-12(2)16(13(3)9-11)21-18(23)17(22)20-15-7-5-4-6-14(15)10-19/h4-9H,1-3H3,(H,20,22)(H,21,23)
InChIKeyKSJPVSMOCRMJOR-UHFFFAOYSA-N
XLogP3.06
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.06
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

(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108826583
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-cyanophenyl)propanediamide
CID 108955380
N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512305
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
N-(2-carbamoylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512277
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849682
N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113001875
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide
CID 108501670
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide (CID 108501524) is N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)Nc2ccccc2C#N)c(C)c1.
What is the InChIKey of N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is KSJPVSMOCRMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-12(2)16(13(3)9-11)21-18(23)17(22)20-15-7-5-4-6-14(15)10-19/h4-9H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 307.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 108501524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).