[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate

C30H26N2O5 — CID 4048506

IUPAC[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
SMILESCC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H26N2O5/c1-22(36-27-18-16-26(17-19-27)35-21-24-8-4-2-5-9-24)29(33)32-31-20-23-12-14-28(15-13-23)37-30(34)25-10-6-3-7-11-25/h2-20,22H,21H2,1H3,(H,32,33)
InChIKeyPMORBYRNYKWXIE-UHFFFAOYSA-N
MW494.55 g/mol
LogP5.40
Rot. Bonds10

About [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate

[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate (PubChem CID 4048506) has the molecular formula C30H26N2O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
PubChem CID4048506
Molecular FormulaC30H26N2O5
Molecular Weight494.55 g/mol
Exact Mass494.18
IUPAC Name[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
SMILESCC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H26N2O5/c1-22(36-27-18-16-26(17-19-27)35-21-24-8-4-2-5-9-24)29(33)32-31-20-23-12-14-28(15-13-23)37-30(34)25-10-6-3-7-11-25/h2-20,22H,21H2,1H3,(H,32,33)
InChIKeyPMORBYRNYKWXIE-UHFFFAOYSA-N
XLogP5.40
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.55
LogP ≤ 55.40
H-Bond Donors ≤ 51
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-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
CID 4633646
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3415013
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4193307
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
CID 7275620
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6011084
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 3295271
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 171979500
N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide
CID 6821492

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate (CID 4048506) is [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate is CC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is PMORBYRNYKWXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O5/c1-22(36-27-18-16-26(17-19-27)35-21-24-8-4-2-5-9-24)29(33)32-31-20-23-12-14-28(15-13-23)37-30(34)25-10-6-3-7-11-25/h2-20,22H,21H2,1H3,(H,32,33).
What are the key properties of [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate?
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 494.55 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 4048506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).