ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate

C19H20N2O4 — CID 4932439

IUPACethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)NN=CCc2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-2-24-19(23)16-8-10-17(11-9-16)25-14-18(22)21-20-13-12-15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3,(H,21,22)
InChIKeyWHNHJQGHTVHHAT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.59
Rot. Bonds8

About ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate

ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate (PubChem CID 4932439) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate
PubChem CID4932439
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)NN=CCc2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-2-24-19(23)16-8-10-17(11-9-16)25-14-18(22)21-20-13-12-15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3,(H,21,22)
InChIKeyWHNHJQGHTVHHAT-UHFFFAOYSA-N
XLogP2.59
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922542
2-phenoxy-N-[(Z)-propylideneamino]acetamide
CID 6119028
ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 135678556
ethyl 4-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932374
propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate
CID 4927289
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922546
propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927337
N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925727
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate?
The IUPAC name of ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate (CID 4932439) is ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate is CCOC(=O)c1ccc(OCC(=O)NN=CCc2ccccc2)cc1.
What is the InChIKey of ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate?
The InChIKey is WHNHJQGHTVHHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-24-19(23)16-8-10-17(11-9-16)25-14-18(22)21-20-13-12-15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3,(H,21,22).
What are the key properties of ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate?
ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate is sourced from PubChem (CID 4932439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).