N'-tert-butyl-N-(4-cyanophenyl)oxamide

C13H15N3O2 — CID 108506832

IUPACN'-tert-butyl-N-(4-cyanophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3O2/c1-13(2,3)16-12(18)11(17)15-10-6-4-9(8-14)5-7-10/h4-7H,1-3H3,(H,15,17)(H,16,18)
InChIKeyIIQIQTSXQLOHKK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.41
Rot. Bonds1

About N'-tert-butyl-N-(4-cyanophenyl)oxamide

N'-tert-butyl-N-(4-cyanophenyl)oxamide (PubChem CID 108506832) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-cyanophenyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-cyanophenyl)oxamide
PubChem CID108506832
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN'-tert-butyl-N-(4-cyanophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3O2/c1-13(2,3)16-12(18)11(17)15-10-6-4-9(8-14)5-7-10/h4-7H,1-3H3,(H,15,17)(H,16,18)
InChIKeyIIQIQTSXQLOHKK-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-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108519444
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
CID 108519483
N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909
N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen
CID 142912025
4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109089232
N-tert-butyl-3-(4-cyanoanilino)propanamide
CID 109031416
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium
CID 8796507
N-(4-cyanophenyl)prop-2-ynamide
CID 131045774
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-cyanophenyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(4-cyanophenyl)oxamide (CID 108506832) is N'-tert-butyl-N-(4-cyanophenyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(4-cyanophenyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(4-cyanophenyl)oxamide is CC(C)(C)NC(=O)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N'-tert-butyl-N-(4-cyanophenyl)oxamide?
The InChIKey is IIQIQTSXQLOHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(2,3)16-12(18)11(17)15-10-6-4-9(8-14)5-7-10/h4-7H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-tert-butyl-N-(4-cyanophenyl)oxamide?
N'-tert-butyl-N-(4-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-(4-cyanophenyl)oxamide is sourced from PubChem (CID 108506832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).