methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate

C29H26N2O3 — CID 5053665

IUPACmethyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(C=NN(Cc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H26N2O3/c1-33-29(32)26-16-12-25(13-17-26)22-34-28-18-14-23(15-19-28)20-30-31(27-10-6-3-7-11-27)21-24-8-4-2-5-9-24/h2-20H,21-22H2,1H3
InChIKeyWEUWPTGTBKXOTG-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.09
Rot. Bonds9

About methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate

methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate (PubChem CID 5053665) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
PubChem CID5053665
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Namemethyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(C=NN(Cc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H26N2O3/c1-33-29(32)26-16-12-25(13-17-26)22-34-28-18-14-23(15-19-28)20-30-31(27-10-6-3-7-11-27)21-24-8-4-2-5-9-24/h2-20H,21-22H2,1H3
InChIKeyWEUWPTGTBKXOTG-UHFFFAOYSA-N
XLogP6.09
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.09
H-Bond Donors ≤ 50
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

methyl 4-[[4-[(E)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 6902718
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[(diphenylhydrazinylidene)methyl]benzoate
CID 5187336
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoate
CID 7946008
methyl 4-[[4-[3-(benzylamino)-2-(benzylcarbamoyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 4025965
methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
CID 169385691
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
(Z)-(diaminomethylideneamino)-[[4-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]azanium
CID 11921634
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 4932922
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate (CID 5053665) is methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccc(C=NN(Cc3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate?
The InChIKey is WEUWPTGTBKXOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-33-29(32)26-16-12-25(13-17-26)22-34-28-18-14-23(15-19-28)20-30-31(27-10-6-3-7-11-27)21-24-8-4-2-5-9-24/h2-20H,21-22H2,1H3.
What are the key properties of methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate?
methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate has a molecular weight of 450.54 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate is sourced from PubChem (CID 5053665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).