2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide

C13H14N4O — CID 114001769

IUPAC2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1ccc(C#N)c(C#N)c1)C(=O)N(C)C
InChIInChI=1S/C13H14N4O/c1-9(13(18)17(2)3)16-12-5-4-10(7-14)11(6-12)8-15/h4-6,9,16H,1-3H3
InChIKeyGWPZNRUDZHWGKZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.32
Rot. Bonds3

About 2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide

2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide (PubChem CID 114001769) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
PubChem CID114001769
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1ccc(C#N)c(C#N)c1)C(=O)N(C)C
InChIInChI=1S/C13H14N4O/c1-9(13(18)17(2)3)16-12-5-4-10(7-14)11(6-12)8-15/h4-6,9,16H,1-3H3
InChIKeyGWPZNRUDZHWGKZ-UHFFFAOYSA-N
XLogP1.32
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanoanilino)-N,N-dimethylpropanamide
CID 43086047
(2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide
CID 28835398
2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide
CID 107789169
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107789327
2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
CID 61464522
2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
CID 54964418
N,N-dimethyl-2-(3-methylanilino)propanamide
CID 43085843
N-(3,4-dicyanophenyl)acetamide
CID 12938829
2-(4-chloro-3-cyanoanilino)propanoic acid
CID 66173106
2-(3-ethynylanilino)-N,N-dimethylpropanamide
CID 43116515
2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 61227651

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide (CID 114001769) is 2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide is CC(Nc1ccc(C#N)c(C#N)c1)C(=O)N(C)C.
What is the InChIKey of 2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide?
The InChIKey is GWPZNRUDZHWGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9(13(18)17(2)3)16-12-5-4-10(7-14)11(6-12)8-15/h4-6,9,16H,1-3H3.
What are the key properties of 2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide?
2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide has a molecular weight of 242.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 114001769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).