2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide

C19H19N3O2 — CID 113181116

IUPAC2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O2/c1-13-8-14(2)10-17(9-13)21-19(24)12-22(15(3)23)18-6-4-16(11-20)5-7-18/h4-10H,12H2,1-3H3,(H,21,24)
InChIKeyGVRAJZCRAKGXCH-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.17
Rot. Bonds4

About 2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide

2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 113181116) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
PubChem CID113181116
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O2/c1-13-8-14(2)10-17(9-13)21-19(24)12-22(15(3)23)18-6-4-16(11-20)5-7-18/h4-10H,12H2,1-3H3,(H,21,24)
InChIKeyGVRAJZCRAKGXCH-UHFFFAOYSA-N
XLogP3.17
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113169304
2-(N-acetyl-4-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113181129
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 113175364
2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
CID 113181733
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
CID 113176810
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113177559
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113168581
methyl 3-[acetyl-[2-(4-cyanoanilino)-2-oxoethyl]amino]benzoate
CID 113176339
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113172320
2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide (CID 113181116) is 2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc(C#N)cc1.
What is the InChIKey of 2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is GVRAJZCRAKGXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-8-14(2)10-17(9-13)21-19(24)12-22(15(3)23)18-6-4-16(11-20)5-7-18/h4-10H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide?
2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113181116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).