[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate

C25H24N2O4 — CID 6047587

IUPAC[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
SMILESCCCCOc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-2-3-17-30-22-15-11-21(12-16-22)25(29)31-23-13-9-19(10-14-23)18-26-27-24(28)20-7-5-4-6-8-20/h4-16,18H,2-3,17H2,1H3,(H,27,28)/b26-18-
InChIKeyYCAXWOOVCAUZTG-ITYLOYPMSA-N
MW416.48 g/mol
LogP4.85
Rot. Bonds9

About [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate

[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate (PubChem CID 6047587) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
PubChem CID6047587
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
SMILESCCCCOc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-2-3-17-30-22-15-11-21(12-16-22)25(29)31-23-13-9-19(10-14-23)18-26-27-24(28)20-7-5-4-6-8-20/h4-16,18H,2-3,17H2,1H3,(H,27,28)/b26-18-
InChIKeyYCAXWOOVCAUZTG-ITYLOYPMSA-N
XLogP4.85
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4077367
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6011084
[4-[(Z)-[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6298562
[4-[(E)-(acetylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6029290
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 4061810
[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 51061973
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
[4-[(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 4077359
[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 98298326
[4-[(heptanoylhydrazinylidene)methyl]phenyl] benzoate
CID 3690699

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate?
The IUPAC name of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate (CID 6047587) is [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate.
What is the SMILES notation for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate?
The canonical SMILES for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate is CCCCOc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate?
The InChIKey is YCAXWOOVCAUZTG-ITYLOYPMSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-2-3-17-30-22-15-11-21(12-16-22)25(29)31-23-13-9-19(10-14-23)18-26-27-24(28)20-7-5-4-6-8-20/h4-16,18H,2-3,17H2,1H3,(H,27,28)/b26-18-.
What are the key properties of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate?
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate has a molecular weight of 416.48 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate is sourced from PubChem (CID 6047587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).