[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate

C23H20N2O4 — CID 4633646

IUPAC[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
SMILESCC(Oc1ccccc1)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-17(28-20-10-6-3-7-11-20)22(26)25-24-16-18-12-14-21(15-13-18)29-23(27)19-8-4-2-5-9-19/h2-17H,1H3,(H,25,26)
InChIKeyHLXPUOAIEONIOY-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.82
Rot. Bonds7

About [4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate

[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate (PubChem CID 4633646) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
PubChem CID4633646
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
SMILESCC(Oc1ccccc1)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-17(28-20-10-6-3-7-11-20)22(26)25-24-16-18-12-14-21(15-13-18)29-23(27)19-8-4-2-5-9-19/h2-17H,1H3,(H,25,26)
InChIKeyHLXPUOAIEONIOY-UHFFFAOYSA-N
XLogP3.82
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.82
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
CID 4048506
[4-[(E)-[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 44722050
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
[4-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 4619205
[4-[[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 5200842
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-[[2-(4-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 4672562
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3415013
[4-[[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3835751
(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate
CID 6957334

Frequently Asked Questions

What is the IUPAC name of [4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate?
The IUPAC name of [4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate (CID 4633646) is [4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate?
The canonical SMILES for [4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate is CC(Oc1ccccc1)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate?
The InChIKey is HLXPUOAIEONIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-17(28-20-10-6-3-7-11-20)22(26)25-24-16-18-12-14-21(15-13-18)29-23(27)19-8-4-2-5-9-19/h2-17H,1H3,(H,25,26).
What are the key properties of [4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate?
[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate has a molecular weight of 388.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate is sourced from PubChem (CID 4633646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).