2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide

C19H19N3O2 — CID 113168034

IUPAC2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(C)cc1C
InChIInChI=1S/C19H19N3O2/c1-13-7-8-18(14(2)9-13)22(15(3)23)12-19(24)21-17-6-4-5-16(10-17)11-20/h4-10H,12H2,1-3H3,(H,21,24)
InChIKeyWITNAVSDSMPMTN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.17
Rot. Bonds4

About 2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide

2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide (PubChem CID 113168034) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide
PubChem CID113168034
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(C)cc1C
InChIInChI=1S/C19H19N3O2/c1-13-7-8-18(14(2)9-13)22(15(3)23)12-19(24)21-17-6-4-5-16(10-17)11-20/h4-10H,12H2,1-3H3,(H,21,24)
InChIKeyWITNAVSDSMPMTN-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-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113180389
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 113175093
2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113172320
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
CID 113176810
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N-acetyl-2,5-dimethylanilino)-N-phenylacetamide
CID 113168130
2-(N-acetyl-2,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113167956
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide (CID 113168034) is 2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(C)cc1C.
What is the InChIKey of 2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide?
The InChIKey is WITNAVSDSMPMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-7-8-18(14(2)9-13)22(15(3)23)12-19(24)21-17-6-4-5-16(10-17)11-20/h4-10H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide?
2-(N-acetyl-2,4-dimethylanilino)-N-(3-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-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113168034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).