[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate

C20H23NO4 — CID 4159716

IUPAC[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NC(C)CCc2ccccc2)c1O
InChIInChI=1S/C20H23NO4/c1-14-7-6-10-17(19(14)23)20(24)25-13-18(22)21-15(2)11-12-16-8-4-3-5-9-16/h3-10,15,23H,11-13H2,1-2H3,(H,21,22)
InChIKeyVGOODAGWJUQPPS-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.99
Rot. Bonds7

About [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate

[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 4159716) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate
PubChem CID4159716
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NC(C)CCc2ccccc2)c1O
InChIInChI=1S/C20H23NO4/c1-14-7-6-10-17(19(14)23)20(24)25-13-18(22)21-15(2)11-12-16-8-4-3-5-9-16/h3-10,15,23H,11-13H2,1-2H3,(H,21,22)
InChIKeyVGOODAGWJUQPPS-UHFFFAOYSA-N
XLogP2.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 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

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate (CID 4159716) is [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)NC(C)CCc2ccccc2)c1O.
What is the InChIKey of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is VGOODAGWJUQPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-7-6-10-17(19(14)23)20(24)25-13-18(22)21-15(2)11-12-16-8-4-3-5-9-16/h3-10,15,23H,11-13H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate?
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 341.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 4159716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).