N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide

C17H23N3O2 — CID 108519444

IUPACN-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H23N3O2/c1-16(2,3)11-17(4,5)20-15(22)14(21)19-13-8-6-12(10-18)7-9-13/h6-9H,11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyWFEMJTLKEPKLSI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.83
Rot. Bonds3

About N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide

N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108519444) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108519444
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H23N3O2/c1-16(2,3)11-17(4,5)20-15(22)14(21)19-13-8-6-12(10-18)7-9-13/h6-9H,11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyWFEMJTLKEPKLSI-UHFFFAOYSA-N
XLogP2.83
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.83
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'-tert-butyl-N-(4-cyanophenyl)oxamide
CID 108506832
N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108523109
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
ethyl 4-[[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)acetyl]amino]benzoate
CID 108500106
N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
CID 108519483
N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526239
4-[(4-cyanophenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043313
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108519474
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108519444) is N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is CC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is WFEMJTLKEPKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-16(2,3)11-17(4,5)20-15(22)14(21)19-13-8-6-12(10-18)7-9-13/h6-9H,11H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 301.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108519444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).