3-(2-cyanoanilino)-N,N-diethylpropanamide

C14H19N3O — CID 54935351

IUPAC3-(2-cyanoanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1ccccc1C#N
InChIInChI=1S/C14H19N3O/c1-3-17(4-2)14(18)9-10-16-13-8-6-5-7-12(13)11-15/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyXUWPVIXIBOPGGD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.23
Rot. Bonds6

About 3-(2-cyanoanilino)-N,N-diethylpropanamide

3-(2-cyanoanilino)-N,N-diethylpropanamide (PubChem CID 54935351) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(2-cyanoanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(2-cyanoanilino)-N,N-diethylpropanamide
PubChem CID54935351
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(2-cyanoanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1ccccc1C#N
InChIInChI=1S/C14H19N3O/c1-3-17(4-2)14(18)9-10-16-13-8-6-5-7-12(13)11-15/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyXUWPVIXIBOPGGD-UHFFFAOYSA-N
XLogP2.23
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-cyanoanilino)-N,N-diethylpropanamide 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,N-diethyl-3-(2-methylanilino)propanamide
CID 109030597
3-(4-cyanoanilino)-N,N-diethylpropanamide
CID 54936059
2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 109007773
2-[3-(diethylamino)butylamino]benzonitrile
CID 23324090
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
2-(2-cyanoanilino)ethylurea
CID 83111551
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 81051927
2-(dodecylamino)benzonitrile
CID 63488308
2-(3-aminobutylamino)benzonitrile
CID 63251194
N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide
CID 63107836
2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28580926

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoanilino)-N,N-diethylpropanamide?
The IUPAC name of 3-(2-cyanoanilino)-N,N-diethylpropanamide (CID 54935351) is 3-(2-cyanoanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(2-cyanoanilino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(2-cyanoanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1ccccc1C#N.
What is the InChIKey of 3-(2-cyanoanilino)-N,N-diethylpropanamide?
The InChIKey is XUWPVIXIBOPGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17(4-2)14(18)9-10-16-13-8-6-5-7-12(13)11-15/h5-8,16H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(2-cyanoanilino)-N,N-diethylpropanamide?
3-(2-cyanoanilino)-N,N-diethylpropanamide has a molecular weight of 245.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanoanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 54935351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).