[1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate

C18H20N2O5 — CID 23944221

IUPAC[1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate
SMILESCCC(OC(=O)c1ccncc1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C18H20N2O5/c1-4-15(25-18(22)12-7-9-19-10-8-12)17(21)20-14-6-5-13(23-2)11-16(14)24-3/h5-11,15H,4H2,1-3H3,(H,20,21)
InChIKeyUIGLNQXFTKEKPM-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.67
Rot. Bonds7

About [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate

[1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate (PubChem CID 23944221) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate
PubChem CID23944221
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate
SMILESCCC(OC(=O)c1ccncc1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C18H20N2O5/c1-4-15(25-18(22)12-7-9-19-10-8-12)17(21)20-14-6-5-13(23-2)11-16(14)24-3/h5-11,15H,4H2,1-3H3,(H,20,21)
InChIKeyUIGLNQXFTKEKPM-UHFFFAOYSA-N
XLogP2.67
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445
[1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] quinoxaline-2-carboxylate
CID 23860497
[1-(2,5-dimethylanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate
CID 23888231
[1-(2-methoxycarbonylanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate
CID 23972231
[1-(2,5-dimethoxyanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23916282
(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 9173271
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 93486925
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate?
The IUPAC name of [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate (CID 23944221) is [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate.
What is the SMILES notation for [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate?
The canonical SMILES for [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate is CCC(OC(=O)c1ccncc1)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate?
The InChIKey is UIGLNQXFTKEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-15(25-18(22)12-7-9-19-10-8-12)17(21)20-14-6-5-13(23-2)11-16(14)24-3/h5-11,15H,4H2,1-3H3,(H,20,21).
What are the key properties of [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate?
[1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate is sourced from PubChem (CID 23944221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).