[2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate

C16H16N2O4 — CID 23734119

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate
SMILESCN(C(=O)COC(=O)c1cc(O)ccc1N)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-18(11-5-3-2-4-6-11)15(20)10-22-16(21)13-9-12(19)7-8-14(13)17/h2-9,19H,10,17H2,1H3
InChIKeyFHVWQQXDGYFATL-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.79
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate

[2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate (PubChem CID 23734119) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate
PubChem CID23734119
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate
SMILESCN(C(=O)COC(=O)c1cc(O)ccc1N)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-18(11-5-3-2-4-6-11)15(20)10-22-16(21)13-9-12(19)7-8-14(13)17/h2-9,19H,10,17H2,1H3
InChIKeyFHVWQQXDGYFATL-UHFFFAOYSA-N
XLogP1.79
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2370377
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 46860545
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
CID 7472403
[2-(N-methylanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385406
[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2715062
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144
[2-(dimethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768625
[2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2352915
[2-(N-methylanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518455
[2-(N-methylanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976405
[2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307547

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate (CID 23734119) is [2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate is CN(C(=O)COC(=O)c1cc(O)ccc1N)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate?
The InChIKey is FHVWQQXDGYFATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-18(11-5-3-2-4-6-11)15(20)10-22-16(21)13-9-12(19)7-8-14(13)17/h2-9,19H,10,17H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate?
[2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate has a molecular weight of 300.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate is sourced from PubChem (CID 23734119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).