N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide

C12H15N3O — CID 78965394

IUPACN-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C#N)cc1N
InChIInChI=1S/C12H15N3O/c1-12(2,3)11(16)15-10-5-4-8(7-13)6-9(10)14/h4-6H,14H2,1-3H3,(H,15,16)
InChIKeyJJVDDOZDVSZVMF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.13
Rot. Bonds1

About N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide

N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide (PubChem CID 78965394) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
PubChem CID78965394
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C#N)cc1N
InChIInChI=1S/C12H15N3O/c1-12(2,3)11(16)15-10-5-4-8(7-13)6-9(10)14/h4-6H,14H2,1-3H3,(H,15,16)
InChIKeyJJVDDOZDVSZVMF-UHFFFAOYSA-N
XLogP2.13
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide
CID 78965600
propan-2-yl N-(2-amino-4-cyanophenyl)carbamate
CID 78965446
N-(2-amino-4-cyanophenyl)-5-methylfuran-2-carboxamide
CID 78965516
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
1-(2-amino-4-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 78965201
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375
N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide
CID 82486997
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
CID 107971053
N-(2-amino-4-cyanophenyl)oxane-4-carboxamide
CID 78965406
N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174932

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide (CID 78965394) is N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(C#N)cc1N.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide?
The InChIKey is JJVDDOZDVSZVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)11(16)15-10-5-4-8(7-13)6-9(10)14/h4-6H,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide?
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 78965394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).