2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide

C19H19N3O4 — CID 113180958

IUPAC2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2cccc(C#N)c2)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-13(23)22(15-6-4-5-14(9-15)11-20)12-19(24)21-17-8-7-16(25-2)10-18(17)26-3/h4-10H,12H2,1-3H3,(H,21,24)
InChIKeyXURKJXVXXBSZSE-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.57
Rot. Bonds6

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

2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 113180958) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID113180958
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2cccc(C#N)c2)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-13(23)22(15-6-4-5-14(9-15)11-20)12-19(24)21-17-8-7-16(25-2)10-18(17)26-3/h4-10H,12H2,1-3H3,(H,21,24)
InChIKeyXURKJXVXXBSZSE-UHFFFAOYSA-N
XLogP2.57
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113180955
2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113181013
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113175346
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
2-[(3-cyanophenyl)methylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 8964683
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
2-(N-acetyl-3-cyanoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113180877
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide
CID 113179180
2-(N-acetyl-3-methoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 113173424
2-(N-acetyl-3-methoxyanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113173418

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide (CID 113180958) is 2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C(C)=O)c2cccc(C#N)c2)c(OC)c1.
What is the InChIKey of 2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is XURKJXVXXBSZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13(23)22(15-6-4-5-14(9-15)11-20)12-19(24)21-17-8-7-16(25-2)10-18(17)26-3/h4-10H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide?
2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113180958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).