4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate

C17H17N2O3- — CID 9012884

IUPAC4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate
SMILESCCOc1ccccc1/C(C)=N\Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H18N2O3/c1-3-22-16-7-5-4-6-15(16)12(2)18-19-14-10-8-13(9-11-14)17(20)21/h4-11,19H,3H2,1-2H3,(H,20,21)/p-1/b18-12-
InChIKeyPZATYGWFIPCHQQ-PDGQHHTCSA-M
MW297.33 g/mol
LogP2.28
Rot. Bonds6

About 4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate

4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate (PubChem CID 9012884) has the molecular formula C17H17N2O3- and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate
PubChem CID9012884
Molecular FormulaC17H17N2O3-
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate
SMILESCCOc1ccccc1/C(C)=N\Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H18N2O3/c1-3-22-16-7-5-4-6-15(16)12(2)18-19-14-10-8-13(9-11-14)17(20)21/h4-11,19H,3H2,1-2H3,(H,20,21)/p-1/b18-12-
InChIKeyPZATYGWFIPCHQQ-PDGQHHTCSA-M
XLogP2.28
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.28
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

4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
CID 8007668
4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012896
4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 7734089
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate
CID 7561503
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359
4-[(2Z)-2-[1-[3-[(diethylazaniumyl)methyl]-4-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012973
4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012825
[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
CID 18075363
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372
N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4926581

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate (CID 9012884) is 4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate is CCOc1ccccc1/C(C)=N\Nc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate?
The InChIKey is PZATYGWFIPCHQQ-PDGQHHTCSA-M. The full InChI is InChI=1S/C17H18N2O3/c1-3-22-16-7-5-4-6-15(16)12(2)18-19-14-10-8-13(9-11-14)17(20)21/h4-11,19H,3H2,1-2H3,(H,20,21)/p-1/b18-12-.
What are the key properties of 4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate has a molecular weight of 297.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate is sourced from PubChem (CID 9012884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).