N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide

C24H22N4O4 — CID 135688471

IUPACN-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCOc1cc(C=NNC(=O)c2ccccc2)c(O)c(/C=N/NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H22N4O4/c1-2-32-21-13-19(15-25-27-23(30)17-9-5-3-6-10-17)22(29)20(14-21)16-26-28-24(31)18-11-7-4-8-12-18/h3-16,29H,2H2,1H3,(H,27,30)(H,28,31)/b25-15+,26-16?
InChIKeyJRQRHRCNDZIDOI-XSJITVNZSA-N
MW430.46 g/mol
LogP3.32
Rot. Bonds8

About N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide

N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide (PubChem CID 135688471) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide
PubChem CID135688471
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCOc1cc(C=NNC(=O)c2ccccc2)c(O)c(/C=N/NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H22N4O4/c1-2-32-21-13-19(15-25-27-23(30)17-9-5-3-6-10-17)22(29)20(14-21)16-26-28-24(31)18-11-7-4-8-12-18/h3-16,29H,2H2,1H3,(H,27,30)(H,28,31)/b25-15+,26-16?
InChIKeyJRQRHRCNDZIDOI-XSJITVNZSA-N
XLogP3.32
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide
CID 135688473
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066620
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide
CID 4208648
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 3611587
N-[(Z)-(5-chloro-2-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148787
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577243
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide?
The IUPAC name of N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide (CID 135688471) is N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide is CCOc1cc(C=NNC(=O)c2ccccc2)c(O)c(/C=N/NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide?
The InChIKey is JRQRHRCNDZIDOI-XSJITVNZSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-2-32-21-13-19(15-25-27-23(30)17-9-5-3-6-10-17)22(29)20(14-21)16-26-28-24(31)18-11-7-4-8-12-18/h3-16,29H,2H2,1H3,(H,27,30)(H,28,31)/b25-15+,26-16?.
What are the key properties of N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide?
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide has a molecular weight of 430.46 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 135688471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).