methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate

C18H19NO5 — CID 56543383

IUPACmethyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(=O)OC)c2O)cc1
InChIInChI=1S/C18H19NO5/c1-3-12-7-9-13(10-8-12)24-11-16(20)19-15-6-4-5-14(17(15)21)18(22)23-2/h4-10,21H,3,11H2,1-2H3,(H,19,20)
InChIKeyRWKQLRONLDNDPI-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.76
Rot. Bonds6

About methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate

methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate (PubChem CID 56543383) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
PubChem CID56543383
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(=O)OC)c2O)cc1
InChIInChI=1S/C18H19NO5/c1-3-12-7-9-13(10-8-12)24-11-16(20)19-15-6-4-5-14(17(15)21)18(22)23-2/h4-10,21H,3,11H2,1-2H3,(H,19,20)
InChIKeyRWKQLRONLDNDPI-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'}

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Related Compounds

methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543416
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
methyl 2-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108795775
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
methyl 3-[[2-(4-iodophenoxy)acetyl]amino]-2-methylbenzoate
CID 1301700
methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
CID 56543418
methyl 2-hydroxy-3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]benzoate
CID 56576231
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate?
The IUPAC name of methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate (CID 56543383) is methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate is CCc1ccc(OCC(=O)Nc2cccc(C(=O)OC)c2O)cc1.
What is the InChIKey of methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate?
The InChIKey is RWKQLRONLDNDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-3-12-7-9-13(10-8-12)24-11-16(20)19-15-6-4-5-14(17(15)21)18(22)23-2/h4-10,21H,3,11H2,1-2H3,(H,19,20).
What are the key properties of methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate?
methyl 3-[[2-(4-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-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate is sourced from PubChem (CID 56543383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).