N'-tert-butyl-N-(2-cyanophenyl)oxamide

C13H15N3O2 — CID 44997713

IUPACN'-tert-butyl-N-(2-cyanophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C13H15N3O2/c1-13(2,3)16-12(18)11(17)15-10-7-5-4-6-9(10)8-14/h4-7H,1-3H3,(H,15,17)(H,16,18)
InChIKeyCNUAJJSDQJOBDQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.41
Rot. Bonds1

About N'-tert-butyl-N-(2-cyanophenyl)oxamide

N'-tert-butyl-N-(2-cyanophenyl)oxamide (PubChem CID 44997713) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-cyanophenyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-cyanophenyl)oxamide
PubChem CID44997713
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN'-tert-butyl-N-(2-cyanophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C13H15N3O2/c1-13(2,3)16-12(18)11(17)15-10-7-5-4-6-9(10)8-14/h4-7H,1-3H3,(H,15,17)(H,16,18)
InChIKeyCNUAJJSDQJOBDQ-UHFFFAOYSA-N
XLogP1.41
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.41
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,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108501524
N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 52992789
(2-cyanophenyl)urea
CID 13155570
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501543
N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109262949
N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide
CID 155930374
N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
CID 108501638
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide
CID 65292791

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-cyanophenyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(2-cyanophenyl)oxamide (CID 44997713) is N'-tert-butyl-N-(2-cyanophenyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(2-cyanophenyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(2-cyanophenyl)oxamide is CC(C)(C)NC(=O)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N'-tert-butyl-N-(2-cyanophenyl)oxamide?
The InChIKey is CNUAJJSDQJOBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(2,3)16-12(18)11(17)15-10-7-5-4-6-9(10)8-14/h4-7H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-tert-butyl-N-(2-cyanophenyl)oxamide?
N'-tert-butyl-N-(2-cyanophenyl)oxamide has a molecular weight of 245.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-cyanophenyl)oxamide is sourced from PubChem (CID 44997713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).