methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate

C18H19NO5 — CID 56543416

IUPACmethyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
SMILESCCc1ccccc1OCC(=O)Nc1cccc(C(=O)OC)c1O
InChIInChI=1S/C18H19NO5/c1-3-12-7-4-5-10-15(12)24-11-16(20)19-14-9-6-8-13(17(14)21)18(22)23-2/h4-10,21H,3,11H2,1-2H3,(H,19,20)
InChIKeyZTYIFNGCOXEMQD-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.76
Rot. Bonds6

About methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate

methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate (PubChem CID 56543416) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
PubChem CID56543416
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
SMILESCCc1ccccc1OCC(=O)Nc1cccc(C(=O)OC)c1O
InChIInChI=1S/C18H19NO5/c1-3-12-7-4-5-10-15(12)24-11-16(20)19-14-9-6-8-13(17(14)21)18(22)23-2/h4-10,21H,3,11H2,1-2H3,(H,19,20)
InChIKeyZTYIFNGCOXEMQD-UHFFFAOYSA-N
XLogP2.76
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate 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

methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
CID 56543418
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543383
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
methyl 2-hydroxy-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 56577461
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
methyl 2-[2-(2-iodoanilino)-2-oxoethoxy]benzoate
CID 7763964
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
methyl 3-[3-(2-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 56543246
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate?
The IUPAC name of methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate (CID 56543416) is methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate is CCc1ccccc1OCC(=O)Nc1cccc(C(=O)OC)c1O.
What is the InChIKey of methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate?
The InChIKey is ZTYIFNGCOXEMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-3-12-7-4-5-10-15(12)24-11-16(20)19-14-9-6-8-13(17(14)21)18(22)23-2/h4-10,21H,3,11H2,1-2H3,(H,19,20).
What are the key properties of methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate?
methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate has a molecular weight of 329.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate is sourced from PubChem (CID 56543416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).