[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate

C17H17NO7 — CID 2645350

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccc(O)cc2O)c(OC)c1
InChIInChI=1S/C17H17NO7/c1-23-11-4-6-13(15(8-11)24-2)18-16(21)9-25-17(22)12-5-3-10(19)7-14(12)20/h3-8,19-20H,9H2,1-2H3,(H,18,21)
InChIKeyWZTRBENKZRGWRQ-UHFFFAOYSA-N
MW347.32 g/mol
LogP1.91
Rot. Bonds6

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 2645350) has the molecular formula C17H17NO7 and a molecular weight of 347.32 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID2645350
Molecular FormulaC17H17NO7
Molecular Weight347.32 g/mol
Exact Mass347.10
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccc(O)cc2O)c(OC)c1
InChIInChI=1S/C17H17NO7/c1-23-11-4-6-13(15(8-11)24-2)18-16(21)9-25-17(22)12-5-3-10(19)7-14(12)20/h3-8,19-20H,9H2,1-2H3,(H,18,21)
InChIKeyWZTRBENKZRGWRQ-UHFFFAOYSA-N
XLogP1.91
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2356553
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605697
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497678
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676241
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870798
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983616
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
methyl 3-[[2-(2,4-dihydroxybenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 7870727
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833836
dimethyl 2-[[2-(2,4-dimethoxybenzoyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 2505044
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate (CID 2645350) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate is COc1ccc(NC(=O)COC(=O)c2ccc(O)cc2O)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is WZTRBENKZRGWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO7/c1-23-11-4-6-13(15(8-11)24-2)18-16(21)9-25-17(22)12-5-3-10(19)7-14(12)20/h3-8,19-20H,9H2,1-2H3,(H,18,21).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 347.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 2645350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).