3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide

C20H21N3O2 — CID 113134926

IUPAC3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(C(C)=O)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O2/c1-3-17-8-4-5-10-19(17)22-20(25)11-12-23(15(2)24)18-9-6-7-16(13-18)14-21/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyWAWNMKZMLZOQAX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.50
Rot. Bonds6

About 3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide

3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide (PubChem CID 113134926) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
PubChem CID113134926
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(C(C)=O)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O2/c1-3-17-8-4-5-10-19(17)22-20(25)11-12-23(15(2)24)18-9-6-7-16(13-18)14-21/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyWAWNMKZMLZOQAX-UHFFFAOYSA-N
XLogP3.50
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134925
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753
3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide
CID 113134859
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
CID 113134840

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide (CID 113134926) is 3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN(C(C)=O)c1cccc(C#N)c1.
What is the InChIKey of 3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide?
The InChIKey is WAWNMKZMLZOQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-17-8-4-5-10-19(17)22-20(25)11-12-23(15(2)24)18-9-6-7-16(13-18)14-21/h4-10,13H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide?
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 113134926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).