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

C19H19N3O4 — CID 113180763

IUPAC2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccccc2C#N)cc1OC
InChIInChI=1S/C19H19N3O4/c1-13(23)22(16-7-5-4-6-14(16)11-20)12-19(24)21-15-8-9-17(25-2)18(10-15)26-3/h4-10H,12H2,1-3H3,(H,21,24)
InChIKeyQLFSNDBNHUCCTR-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.57
Rot. Bonds6

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

2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113180763) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID113180763
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccccc2C#N)cc1OC
InChIInChI=1S/C19H19N3O4/c1-13(23)22(16-7-5-4-6-14(16)11-20)12-19(24)21-15-8-9-17(25-2)18(10-15)26-3/h4-10H,12H2,1-3H3,(H,21,24)
InChIKeyQLFSNDBNHUCCTR-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

2-(N-acetyl-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167396
2-(N-acetyl-2-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113173805
2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
CID 113180714
2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167201
2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide
CID 113180757
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181335
2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181503
2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113167430
2-(N-acetyl-4-ethylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113169343
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide (CID 113180763) is 2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C(C)=O)c2ccccc2C#N)cc1OC.
What is the InChIKey of 2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QLFSNDBNHUCCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13(23)22(16-7-5-4-6-14(16)11-20)12-19(24)21-15-8-9-17(25-2)18(10-15)26-3/h4-10H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
2-(N-acetyl-2-cyanoanilino)-N-(3,4-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-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113180763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).