[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate

C17H17NO6 — CID 2628902

IUPAC[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2cccc(O)c2)cc(OC)c1
InChIInChI=1S/C17H17NO6/c1-22-14-7-12(8-15(9-14)23-2)18-16(20)10-24-17(21)11-4-3-5-13(19)6-11/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyMREPFSVLXIUTKE-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.20
Rot. Bonds6

About [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 2628902) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID2628902
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2cccc(O)c2)cc(OC)c1
InChIInChI=1S/C17H17NO6/c1-22-14-7-12(8-15(9-14)23-2)18-16(20)10-24-17(21)11-4-3-5-13(19)6-11/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyMREPFSVLXIUTKE-UHFFFAOYSA-N
XLogP2.20
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-iodobenzoate
CID 2555986
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-aminobenzoate
CID 23859785
[2-(3-bromoanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628239
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628078
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
[2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate
CID 155520332
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238
[2-(3-bromoanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516602
[2-(4-bromoanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7824538
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628769

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate (CID 2628902) is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate is COc1cc(NC(=O)COC(=O)c2cccc(O)c2)cc(OC)c1.
What is the InChIKey of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is MREPFSVLXIUTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-22-14-7-12(8-15(9-14)23-2)18-16(20)10-24-17(21)11-4-3-5-13(19)6-11/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate?
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 331.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 2628902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).