2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide

C13H17N3O — CID 28580926

IUPAC2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1ccccc1C#N
InChIInChI=1S/C13H17N3O/c1-10(2)16(3)13(17)9-15-12-7-5-4-6-11(12)8-14/h4-7,10,15H,9H2,1-3H3
InChIKeyCRPMWXBDOBMKIN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide

2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide (PubChem CID 28580926) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
PubChem CID28580926
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1ccccc1C#N
InChIInChI=1S/C13H17N3O/c1-10(2)16(3)13(17)9-15-12-7-5-4-6-11(12)8-14/h4-7,10,15H,9H2,1-3H3
InChIKeyCRPMWXBDOBMKIN-UHFFFAOYSA-N
XLogP1.84
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide 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

2-(5-bromo-2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107797925
2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide
CID 107804405
2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 109007773
2-(2-bromo-4-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107789738
2-(2,3-dichloroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28774942
2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 60710986
2-(2-cyanoanilino)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide
CID 11485758
2-(3-aminobutylamino)benzonitrile
CID 63251194
3-(2-cyanoanilino)-N,N-diethylpropanamide
CID 54935351
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 55024751
2-(3-cyano-2-nitroanilino)-N,N-dimethylacetamide
CID 113444929

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide (CID 28580926) is 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is CRPMWXBDOBMKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(2)16(3)13(17)9-15-12-7-5-4-6-11(12)8-14/h4-7,10,15H,9H2,1-3H3.
What are the key properties of 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide?
2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 231.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 28580926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).