2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide

C21H23N3O2 — CID 113180930

IUPAC2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C(C)=O)c1cccc(C#N)c1
InChIInChI=1S/C21H23N3O2/c1-4-17-9-7-10-18(5-2)21(17)23-20(26)14-24(15(3)25)19-11-6-8-16(12-19)13-22/h6-12H,4-5,14H2,1-3H3,(H,23,26)
InChIKeyDMNYEOZLWZXXPJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.67
Rot. Bonds6

About 2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide

2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide (PubChem CID 113180930) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
PubChem CID113180930
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C(C)=O)c1cccc(C#N)c1
InChIInChI=1S/C21H23N3O2/c1-4-17-9-7-10-18(5-2)21(17)23-20(26)14-24(15(3)25)19-11-6-8-16(12-19)13-22/h6-12H,4-5,14H2,1-3H3,(H,23,26)
InChIKeyDMNYEOZLWZXXPJ-UHFFFAOYSA-N
XLogP3.67
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113180931
2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113168344
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113181013
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
CID 113176902
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 113180958
2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113180955

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide (CID 113180930) is 2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CN(C(C)=O)c1cccc(C#N)c1.
What is the InChIKey of 2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide?
The InChIKey is DMNYEOZLWZXXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-17-9-7-10-18(5-2)21(17)23-20(26)14-24(15(3)25)19-11-6-8-16(12-19)13-22/h6-12H,4-5,14H2,1-3H3,(H,23,26).
What are the key properties of 2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide?
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 113180930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).