4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

C19H23N3O4 — CID 54840532

IUPAC4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C19H23N3O4/c1-22(2)19(24)13-5-7-14(8-6-13)20-12-18(23)21-16-11-15(25-3)9-10-17(16)26-4/h5-11,20H,12H2,1-4H3,(H,21,23)
InChIKeyJDYODGAJQBOOQU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.46
Rot. Bonds7

About 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 54840532) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID54840532
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C19H23N3O4/c1-22(2)19(24)13-5-7-14(8-6-13)20-12-18(23)21-16-11-15(25-3)9-10-17(16)26-4/h5-11,20H,12H2,1-4H3,(H,21,23)
InChIKeyJDYODGAJQBOOQU-UHFFFAOYSA-N
XLogP2.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 24614766
butyl 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 9084168
2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 36585879
N-(2,5-dimethoxyphenyl)-2-(4-propoxyanilino)acetamide
CID 54820345
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54814112
N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370
2-[4-(diethylsulfamoyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 9084037
2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 109008943
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54814140
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083617

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 54840532) is 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is COc1ccc(OC)c(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)c1.
What is the InChIKey of 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is JDYODGAJQBOOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-22(2)19(24)13-5-7-14(8-6-13)20-12-18(23)21-16-11-15(25-3)9-10-17(16)26-4/h5-11,20H,12H2,1-4H3,(H,21,23).
What are the key properties of 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 357.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54840532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).