2-(2-cyano-5-methylanilino)-N-ethylpropanamide

C13H17N3O — CID 62307281

IUPAC2-(2-cyano-5-methylanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(C)ccc1C#N
InChIInChI=1S/C13H17N3O/c1-4-15-13(17)10(3)16-12-7-9(2)5-6-11(12)8-14/h5-7,10,16H,4H2,1-3H3,(H,15,17)
InChIKeyPEIUBNVOIJJHKN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.80
Rot. Bonds4

About 2-(2-cyano-5-methylanilino)-N-ethylpropanamide

2-(2-cyano-5-methylanilino)-N-ethylpropanamide (PubChem CID 62307281) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(2-cyano-5-methylanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2-cyano-5-methylanilino)-N-ethylpropanamide
PubChem CID62307281
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(2-cyano-5-methylanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(C)ccc1C#N
InChIInChI=1S/C13H17N3O/c1-4-15-13(17)10(3)16-12-7-9(2)5-6-11(12)8-14/h5-7,10,16H,4H2,1-3H3,(H,15,17)
InChIKeyPEIUBNVOIJJHKN-UHFFFAOYSA-N
XLogP1.80
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-5-methylanilino)-N-propylpropanamide
CID 62307791
2-(2-cyanoanilino)-N-ethylpropanamide
CID 43086100
2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
CID 62494182
2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile
CID 55135953
2-(2-carbamothioyl-4-methylanilino)-N-ethylpropanamide
CID 107928693
N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide
CID 64920481
2-(5-bromo-2-cyanoanilino)-N-pentan-3-ylpropanamide
CID 107798095
N-ethyl-2-(2-methyl-5-nitroanilino)propanamide
CID 55023374
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylpropanamide
CID 107798096
2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide
CID 107798093
2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide
CID 64917926
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-5-methylanilino)-N-ethylpropanamide?
The IUPAC name of 2-(2-cyano-5-methylanilino)-N-ethylpropanamide (CID 62307281) is 2-(2-cyano-5-methylanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(2-cyano-5-methylanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(2-cyano-5-methylanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1cc(C)ccc1C#N.
What is the InChIKey of 2-(2-cyano-5-methylanilino)-N-ethylpropanamide?
The InChIKey is PEIUBNVOIJJHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-15-13(17)10(3)16-12-7-9(2)5-6-11(12)8-14/h5-7,10,16H,4H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-cyano-5-methylanilino)-N-ethylpropanamide?
2-(2-cyano-5-methylanilino)-N-ethylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-5-methylanilino)-N-ethylpropanamide is sourced from PubChem (CID 62307281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).