ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate

C14H19NO4 — CID 12803550

IUPACethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate
SMILESCCCCc1ccc(O)c(NC(=O)C(=O)OCC)c1
InChIInChI=1S/C14H19NO4/c1-3-5-6-10-7-8-12(16)11(9-10)15-13(17)14(18)19-4-2/h7-9,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyIGODIWXLVXVLGN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.24
Rot. Bonds5

About ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate

ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate (PubChem CID 12803550) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate
PubChem CID12803550
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate
SMILESCCCCc1ccc(O)c(NC(=O)C(=O)OCC)c1
InChIInChI=1S/C14H19NO4/c1-3-5-6-10-7-8-12(16)11(9-10)15-13(17)14(18)19-4-2/h7-9,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyIGODIWXLVXVLGN-UHFFFAOYSA-N
XLogP2.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2,5-dihydroxyanilino)-2-oxoacetate
CID 12803557
ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate
CID 12803552
5-butyl-2-(ethoxycarbonylamino)benzoic acid
CID 19845690
4-butyl-2-methylphenol
CID 10964856
2-[(2-ethoxy-2-oxoacetyl)amino]-5-ethylbenzoic acid
CID 110465813
ethyl 2-(4-cyano-2-hydroxyanilino)-2-oxoacetate
CID 154157486
ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
CID 12897311
3,4-bis[(2-ethoxy-2-oxoacetyl)amino]benzoic acid
CID 23451570
ethyl 4-[3-[5-(4-ethoxy-4-oxobutyl)-2-hydroxyphenyl]-4-hydroxyphenyl]butanoate
CID 54379044
ethyl 2,5-dibutylbenzoate
CID 166059942
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-phenylanilino]-2-oxoacetate
CID 21416812
[5-(2-aminoethyl)-2-hydroxyphenyl]carbamothioic S-acid
CID 143055389

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate (CID 12803550) is ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate is CCCCc1ccc(O)c(NC(=O)C(=O)OCC)c1.
What is the InChIKey of ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate?
The InChIKey is IGODIWXLVXVLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-5-6-10-7-8-12(16)11(9-10)15-13(17)14(18)19-4-2/h7-9,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate?
ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate has a molecular weight of 265.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate is sourced from PubChem (CID 12803550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).