ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate

C19H20N2O5 — CID 54777648

IUPACethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)N/N=C(/C)c2cccc(O)c2)cc1
InChIInChI=1S/C19H20N2O5/c1-3-25-19(24)14-7-9-17(10-8-14)26-12-18(23)21-20-13(2)15-5-4-6-16(22)11-15/h4-11,22H,3,12H2,1-2H3,(H,21,23)/b20-13-
InChIKeyAYKLGRZCEUFLCJ-MOSHPQCFSA-N
MW356.38 g/mol
LogP2.49
Rot. Bonds7

About ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate

ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 54777648) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID54777648
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Nameethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)N/N=C(/C)c2cccc(O)c2)cc1
InChIInChI=1S/C19H20N2O5/c1-3-25-19(24)14-7-9-17(10-8-14)26-12-18(23)21-20-13(2)15-5-4-6-16(22)11-15/h4-11,22H,3,12H2,1-2H3,(H,21,23)/b20-13-
InChIKeyAYKLGRZCEUFLCJ-MOSHPQCFSA-N
XLogP2.49
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927512
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 135678556
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide
CID 54777662
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate (CID 54777648) is ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate is CCOC(=O)c1ccc(OCC(=O)N/N=C(/C)c2cccc(O)c2)cc1.
What is the InChIKey of ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is AYKLGRZCEUFLCJ-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-3-25-19(24)14-7-9-17(10-8-14)26-12-18(23)21-20-13(2)15-5-4-6-16(22)11-15/h4-11,22H,3,12H2,1-2H3,(H,21,23)/b20-13-.
What are the key properties of ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate?
ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 356.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 54777648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).