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

C17H17NO4 — CID 2628830

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCc1ccc(C)c(NC(=O)COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C17H17NO4/c1-11-6-7-12(2)15(8-11)18-16(20)10-22-17(21)13-4-3-5-14(19)9-13/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyFYALIXDHVGVVIX-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.80
Rot. Bonds4

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

[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 2628830) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID2628830
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCc1ccc(C)c(NC(=O)COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C17H17NO4/c1-11-6-7-12(2)15(8-11)18-16(20)10-22-17(21)13-4-3-5-14(19)9-13/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyFYALIXDHVGVVIX-UHFFFAOYSA-N
XLogP2.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240128
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7483419
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628190
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-(2,5-dimethylanilino)-2-oxoethyl] 3,5-diacetamidobenzoate
CID 46792519
[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 7483736
3-O-[2-(2,4-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860621
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628078
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate (CID 2628830) is [2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate is Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(O)c2)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is FYALIXDHVGVVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-6-7-12(2)15(8-11)18-16(20)10-22-17(21)13-4-3-5-14(19)9-13/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 299.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 2628830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).