(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate

C17H15NO5 — CID 7416144

IUPAC(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c1O
InChIInChI=1S/C17H15NO5/c1-11-6-5-9-13(15(11)20)17(22)23-10-14(19)18-16(21)12-7-3-2-4-8-12/h2-9,20H,10H2,1H3,(H,18,19,21)
InChIKeyWPPQFIYEYMZZHH-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.81
Rot. Bonds4

About (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate

(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate (PubChem CID 7416144) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
PubChem CID7416144
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c1O
InChIInChI=1S/C17H15NO5/c1-11-6-5-9-13(15(11)20)17(22)23-10-14(19)18-16(21)12-7-3-2-4-8-12/h2-9,20H,10H2,1H3,(H,18,19,21)
InChIKeyWPPQFIYEYMZZHH-UHFFFAOYSA-N
XLogP1.81
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate 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-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519727
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2652348
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578372
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840630
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
(2-benzamido-2-oxoethyl) 2-methyl-5-methylsulfonylbenzoate
CID 7849505
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-hydroxy-3-methylbenzoate
CID 2578061
[2-(butylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578092
(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849819
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-3-methylbenzoate
CID 7416045

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate (CID 7416144) is (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c1O.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate?
The InChIKey is WPPQFIYEYMZZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-11-6-5-9-13(15(11)20)17(22)23-10-14(19)18-16(21)12-7-3-2-4-8-12/h2-9,20H,10H2,1H3,(H,18,19,21).
What are the key properties of (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate?
(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate has a molecular weight of 313.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 7416144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).