N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide

C19H19N3O2 — CID 108519483

IUPACN'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)15-6-4-5-7-16(15)22-18(24)17(23)21-14-10-8-13(12-20)9-11-14/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyBPPMXTBOJHFKAA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.43
Rot. Bonds2

About N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide

N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide (PubChem CID 108519483) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
PubChem CID108519483
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)15-6-4-5-7-16(15)22-18(24)17(23)21-14-10-8-13(12-20)9-11-14/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyBPPMXTBOJHFKAA-UHFFFAOYSA-N
XLogP3.43
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.43
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-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668
3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide
CID 109037353
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108500274
N-(4-cyanophenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108969688
N'-tert-butyl-N-(4-cyanophenyl)oxamide
CID 108506832
N-(2-tert-butylphenyl)-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109128319
N-(4-cyanophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515416
N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527589
N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 82120465
4-[[(Z)-3-(2-tert-butylanilino)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108823375
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide?
The IUPAC name of N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide (CID 108519483) is N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide.
What is the SMILES notation for N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide?
The canonical SMILES for N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide is CC(C)(C)c1ccccc1NC(=O)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide?
The InChIKey is BPPMXTBOJHFKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2,3)15-6-4-5-7-16(15)22-18(24)17(23)21-14-10-8-13(12-20)9-11-14/h4-11H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide?
N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide has a molecular weight of 321.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide is sourced from PubChem (CID 108519483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).