[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate

C18H19NO5 — CID 18075571

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1O
InChIInChI=1S/C18H19NO5/c1-23-15-9-5-8-14(17(15)21)18(22)24-12-16(20)19-11-10-13-6-3-2-4-7-13/h2-9,21H,10-12H2,1H3,(H,19,20)
InChIKeyYWADOLJXJYYOAY-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.92
Rot. Bonds7

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate (PubChem CID 18075571) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
PubChem CID18075571
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1O
InChIInChI=1S/C18H19NO5/c1-23-15-9-5-8-14(17(15)21)18(22)24-12-16(20)19-11-10-13-6-3-2-4-7-13/h2-9,21H,10-12H2,1H3,(H,19,20)
InChIKeyYWADOLJXJYYOAY-UHFFFAOYSA-N
XLogP1.92
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate 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-oxo-2-(2-phenoxyethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18193579
[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate
CID 7976840
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18201736
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18192145
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075722
[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylsulfonylbenzoate
CID 18080788
[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 24683584
[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075546

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate (CID 18075571) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate is COc1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1O.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate?
The InChIKey is YWADOLJXJYYOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-15-9-5-8-14(17(15)21)18(22)24-12-16(20)19-11-10-13-6-3-2-4-7-13/h2-9,21H,10-12H2,1H3,(H,19,20).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate has a molecular weight of 329.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 18075571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).