2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide

C19H19N3O2 — CID 113169003

IUPAC2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1cccc(C)c1C
InChIInChI=1S/C19H19N3O2/c1-13-7-6-10-18(14(13)2)22(15(3)23)12-19(24)21-17-9-5-4-8-16(17)11-20/h4-10H,12H2,1-3H3,(H,21,24)
InChIKeyHYJVOGSFFLYWIN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.17
Rot. Bonds4

About 2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide

2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide (PubChem CID 113169003) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
PubChem CID113169003
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1cccc(C)c1C
InChIInChI=1S/C19H19N3O2/c1-13-7-6-10-18(14(13)2)22(15(3)23)12-19(24)21-17-9-5-4-8-16(17)11-20/h4-10H,12H2,1-3H3,(H,21,24)
InChIKeyHYJVOGSFFLYWIN-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-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113175092
2-(N-acetyl-3,4-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113168421
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
2-(N-acetyl-2-cyanoanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113180721
2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113181547
2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113173097
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113178206
2-(N-acetyl-2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113171195
2-(N-acetyl-2,3-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113168914
2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
CID 113180714
2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide (CID 113169003) is 2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C#N)c1cccc(C)c1C.
What is the InChIKey of 2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide?
The InChIKey is HYJVOGSFFLYWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-7-6-10-18(14(13)2)22(15(3)23)12-19(24)21-17-9-5-4-8-16(17)11-20/h4-10H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide?
2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)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-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 113169003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).