2-(2-cyanoanilino)-N-ethylpropanamide

C12H15N3O — CID 43086100

IUPAC2-(2-cyanoanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccccc1C#N
InChIInChI=1S/C12H15N3O/c1-3-14-12(16)9(2)15-11-7-5-4-6-10(11)8-13/h4-7,9,15H,3H2,1-2H3,(H,14,16)
InChIKeyYKPGHRDISXMASZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.49
Rot. Bonds4

About 2-(2-cyanoanilino)-N-ethylpropanamide

2-(2-cyanoanilino)-N-ethylpropanamide (PubChem CID 43086100) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-ethylpropanamide
PubChem CID43086100
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(2-cyanoanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccccc1C#N
InChIInChI=1S/C12H15N3O/c1-3-14-12(16)9(2)15-11-7-5-4-6-10(11)8-13/h4-7,9,15H,3H2,1-2H3,(H,14,16)
InChIKeyYKPGHRDISXMASZ-UHFFFAOYSA-N
XLogP1.49
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-5-methylanilino)-N-ethylpropanamide
CID 62307281
2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
CID 62494182
N-carbamoyl-2-(2-cyanoanilino)propanamide
CID 43086096
2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide
CID 61479924
2-(3-cyano-2-nitroanilino)-N-(2-methylpropyl)propanamide
CID 104718038
2-(butan-2-ylamino)benzonitrile
CID 43178639
2-(2-cyano-5-methylanilino)-N-propylpropanamide
CID 62307791
2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide
CID 107057196
(2S)-2-(2-cyanoanilino)butanedioic acid
CID 70229683
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
2-(2-cyano-6-methylanilino)-N-propylpropanamide
CID 107106624
1-(2-cyanophenyl)-3-pentan-3-ylurea
CID 108888228

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-ethylpropanamide?
The IUPAC name of 2-(2-cyanoanilino)-N-ethylpropanamide (CID 43086100) is 2-(2-cyanoanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanoanilino)-N-ethylpropanamide?
The InChIKey is YKPGHRDISXMASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-14-12(16)9(2)15-11-7-5-4-6-10(11)8-13/h4-7,9,15H,3H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-cyanoanilino)-N-ethylpropanamide?
2-(2-cyanoanilino)-N-ethylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-ethylpropanamide is sourced from PubChem (CID 43086100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).