2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide

C14H12N4O — CID 107790753

IUPAC2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H12N4O/c1-3-14(2,9-17)13(19)18-12-5-4-10(7-15)11(6-12)8-16/h4-6H,3H2,1-2H3,(H,18,19)
InChIKeyXSFQAYTUAFMCLZ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.31
Rot. Bonds3

About 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide

2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide (PubChem CID 107790753) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide
PubChem CID107790753
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H12N4O/c1-3-14(2,9-17)13(19)18-12-5-4-10(7-15)11(6-12)8-16/h4-6H,3H2,1-2H3,(H,18,19)
InChIKeyXSFQAYTUAFMCLZ-UHFFFAOYSA-N
XLogP2.31
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
CID 114291509
2-cyano-2-methyl-N-pyridin-4-ylbutanamide
CID 114291006
3-(3,4-dicyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 107792663
2-cyano-2-methyl-N-(4-methyl-3-nitrophenyl)butanamide
CID 114291021
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
N-(3,4-dicyanophenyl)acetamide
CID 12938829
3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
CID 107790582
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-(3-cyano-4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 100750476
N-(3,4-dicyanophenyl)pentanamide
CID 113240271
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide
CID 130331138

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide (CID 107790753) is 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide is CCC(C)(C#N)C(=O)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide?
The InChIKey is XSFQAYTUAFMCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-3-14(2,9-17)13(19)18-12-5-4-10(7-15)11(6-12)8-16/h4-6H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide?
2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide has a molecular weight of 252.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide is sourced from PubChem (CID 107790753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).