ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate

C15H17N3O4 — CID 155678483

IUPACethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2cnc(C)c2)cc1O
InChIInChI=1S/C15H17N3O4/c1-3-22-15(21)12-5-4-11(6-13(12)19)17-14(20)8-18-7-10(2)16-9-18/h4-7,9,19H,3,8H2,1-2H3,(H,17,20)
InChIKeyFXVKWFNQPBLNSU-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.71
Rot. Bonds5

About ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate

ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate (PubChem CID 155678483) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate
PubChem CID155678483
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2cnc(C)c2)cc1O
InChIInChI=1S/C15H17N3O4/c1-3-22-15(21)12-5-4-11(6-13(12)19)17-14(20)8-18-7-10(2)16-9-18/h4-7,9,19H,3,8H2,1-2H3,(H,17,20)
InChIKeyFXVKWFNQPBLNSU-UHFFFAOYSA-N
XLogP1.71
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11665741
ethyl 4-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]-2-hydroxybenzoate
CID 126208090
ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane
CID 23622666
2-(4-methylimidazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46983131
2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid
CID 175080634
ethyl 2,5-dimethyl-1-[2-(4-methylanilino)-2-oxoethyl]pyrrole-3-carboxylate
CID 8006583
[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611776
methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 83300739
ethyl 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
CID 7748548
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
ethyl 5-[(2-cyanoacetyl)amino]-2-hydroxybenzoate
CID 122149816
2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate (CID 155678483) is ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cn2cnc(C)c2)cc1O.
What is the InChIKey of ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate?
The InChIKey is FXVKWFNQPBLNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-22-15(21)12-5-4-11(6-13(12)19)17-14(20)8-18-7-10(2)16-9-18/h4-7,9,19H,3,8H2,1-2H3,(H,17,20).
What are the key properties of ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate?
ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate has a molecular weight of 303.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 155678483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).