3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide

C21H23N3O2 — CID 113134868

IUPAC3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1cccc(C#N)c1
InChIInChI=1S/C21H23N3O2/c1-3-23(16-18-8-5-4-6-9-18)21(26)12-13-24(17(2)25)20-11-7-10-19(14-20)15-22/h4-11,14H,3,12-13,16H2,1-2H3
InChIKeyHYYBPANQYZEJHU-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.35
Rot. Bonds7

About 3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide

3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide (PubChem CID 113134868) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
PubChem CID113134868
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1cccc(C#N)c1
InChIInChI=1S/C21H23N3O2/c1-3-23(16-18-8-5-4-6-9-18)21(26)12-13-24(17(2)25)20-11-7-10-19(14-20)15-22/h4-11,14H,3,12-13,16H2,1-2H3
InChIKeyHYYBPANQYZEJHU-UHFFFAOYSA-N
XLogP3.35
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide
CID 113130656
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113146850
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 113180925
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
CID 113064234
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide
CID 113125190
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
CID 7964477
N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide
CID 32899277
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-benzyl-N-ethylpropanamide
CID 113131962
3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide
CID 113134859

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide?
The IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide (CID 113134868) is 3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1cccc(C#N)c1.
What is the InChIKey of 3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide?
The InChIKey is HYYBPANQYZEJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-23(16-18-8-5-4-6-9-18)21(26)12-13-24(17(2)25)20-11-7-10-19(14-20)15-22/h4-11,14H,3,12-13,16H2,1-2H3.
What are the key properties of 3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide?
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide has a molecular weight of 349.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide is sourced from PubChem (CID 113134868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).