3-anilino-3-cyano-N,N-dimethylpropanamide

C12H15N3O — CID 66431052

IUPAC3-anilino-3-cyano-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC(C#N)Nc1ccccc1
InChIInChI=1S/C12H15N3O/c1-15(2)12(16)8-11(9-13)14-10-6-4-3-5-7-10/h3-7,11,14H,8H2,1-2H3
InChIKeyVAZZOFPXUGRWLC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.47
Rot. Bonds4

About 3-anilino-3-cyano-N,N-dimethylpropanamide

3-anilino-3-cyano-N,N-dimethylpropanamide (PubChem CID 66431052) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-anilino-3-cyano-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-anilino-3-cyano-N,N-dimethylpropanamide
PubChem CID66431052
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-anilino-3-cyano-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC(C#N)Nc1ccccc1
InChIInChI=1S/C12H15N3O/c1-15(2)12(16)8-11(9-13)14-10-6-4-3-5-7-10/h3-7,11,14H,8H2,1-2H3
InChIKeyVAZZOFPXUGRWLC-UHFFFAOYSA-N
XLogP1.47
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-anilino-3-cyanopropanoate
CID 66432357
3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide
CID 66431284
3-cyano-N,N-dimethyl-3-(propylamino)propanamide
CID 66430847
3-cyano-3-(3-fluoroanilino)-N-methylpropanamide
CID 66428420
3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide
CID 82129603
2-anilino-N,N-dimethylbutanamide
CID 137320686
3-anilino-N,N-dimethylpropanamide
CID 60961994
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide
CID 66432290
ethyl (3S)-3-anilinopentanoate
CID 101375253
2-anilino-N-(cyanomethyl)propanamide
CID 23467229
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 62877874

Frequently Asked Questions

What is the IUPAC name of 3-anilino-3-cyano-N,N-dimethylpropanamide?
The IUPAC name of 3-anilino-3-cyano-N,N-dimethylpropanamide (CID 66431052) is 3-anilino-3-cyano-N,N-dimethylpropanamide.
What is the SMILES notation for 3-anilino-3-cyano-N,N-dimethylpropanamide?
The canonical SMILES for 3-anilino-3-cyano-N,N-dimethylpropanamide is CN(C)C(=O)CC(C#N)Nc1ccccc1.
What is the InChIKey of 3-anilino-3-cyano-N,N-dimethylpropanamide?
The InChIKey is VAZZOFPXUGRWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(2)12(16)8-11(9-13)14-10-6-4-3-5-7-10/h3-7,11,14H,8H2,1-2H3.
What are the key properties of 3-anilino-3-cyano-N,N-dimethylpropanamide?
3-anilino-3-cyano-N,N-dimethylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-3-cyano-N,N-dimethylpropanamide is sourced from PubChem (CID 66431052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).