[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate

C24H22N2O5 — CID 5007447

IUPAC[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-2-30-20-14-10-19(11-15-20)24(29)31-21-12-8-17(9-13-21)16-25-26-23(28)22(27)18-6-4-3-5-7-18/h3-16,22,27H,2H2,1H3,(H,26,28)
InChIKeyAYKHFIJBYPVNRG-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.49
Rot. Bonds8

About [4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate

[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate (PubChem CID 5007447) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
PubChem CID5007447
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-2-30-20-14-10-19(11-15-20)24(29)31-21-12-8-17(9-13-21)16-25-26-23(28)22(27)18-6-4-3-5-7-18/h3-16,22,27H,2H2,1H3,(H,26,28)
InChIKeyAYKHFIJBYPVNRG-UHFFFAOYSA-N
XLogP3.49
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.49
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] 4-tert-butylbenzoate
CID 7108196
[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3765420
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
(2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide
CID 51671415
[4-[[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3848106
[4-[(carbamoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 3742555
methyl 2-[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126267893
[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 5165136
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192
N-[(Z)-(4-ethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 6087706
(2R)-2-hydroxy-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 40516770
(2R)-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126272234

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate?
The IUPAC name of [4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate (CID 5007447) is [4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate.
What is the SMILES notation for [4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate?
The canonical SMILES for [4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate?
The InChIKey is AYKHFIJBYPVNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-2-30-20-14-10-19(11-15-20)24(29)31-21-12-8-17(9-13-21)16-25-26-23(28)22(27)18-6-4-3-5-7-18/h3-16,22,27H,2H2,1H3,(H,26,28).
What are the key properties of [4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate?
[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate has a molecular weight of 418.45 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate is sourced from PubChem (CID 5007447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).