[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate

C17H17NO4 — CID 7798138

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2O)cc1C
InChIInChI=1S/C17H17NO4/c1-11-7-8-13(9-12(11)2)18-16(20)10-22-17(21)14-5-3-4-6-15(14)19/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyIALCMZAUXMCFHS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.80
Rot. Bonds4

About [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 7798138) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID7798138
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2O)cc1C
InChIInChI=1S/C17H17NO4/c1-11-7-8-13(9-12(11)2)18-16(20)10-22-17(21)14-5-3-4-6-15(14)19/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyIALCMZAUXMCFHS-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

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536650
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229186
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497885
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 7605456
[2-(3,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980738
[2-(3,4-dimethylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619845
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 2684879
3-O-[2-(3,4-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860616
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-(3,4-dimethylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 23933463
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2512939

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate (CID 7798138) is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate is Cc1ccc(NC(=O)COC(=O)c2ccccc2O)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is IALCMZAUXMCFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-7-8-13(9-12(11)2)18-16(20)10-22-17(21)14-5-3-4-6-15(14)19/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-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-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 7798138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).