3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide

C20H21N3O2 — CID 113134925

IUPAC3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1C)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O2/c1-14-6-4-9-19(15(14)2)22-20(25)10-11-23(16(3)24)18-8-5-7-17(12-18)13-21/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyWZMGZCGMALJKKI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.56
Rot. Bonds5

About 3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide

3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 113134925) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
PubChem CID113134925
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1C)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O2/c1-14-6-4-9-19(15(14)2)22-20(25)10-11-23(16(3)24)18-8-5-7-17(12-18)13-21/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyWZMGZCGMALJKKI-UHFFFAOYSA-N
XLogP3.56
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
3-(3-cyano-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113146886
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113133827
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
CID 113134840
N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953919
3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide
CID 113134859
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113127889

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide (CID 113134925) is 3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1C)c1cccc(C#N)c1.
What is the InChIKey of 3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is WZMGZCGMALJKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-6-4-9-19(15(14)2)22-20(25)10-11-23(16(3)24)18-8-5-7-17(12-18)13-21/h4-9,12H,10-11H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide?
3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.56, 5 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-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 113134925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).