[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate

C32H28N2O5 — CID 4193307

IUPAC[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
SMILESCC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccc(OC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C32H28N2O5/c1-24(38-29-19-17-28(18-20-29)37-23-27-10-6-3-7-11-27)32(36)34-33-22-26-12-15-30(16-13-26)39-31(35)21-14-25-8-4-2-5-9-25/h2-22,24H,23H2,1H3,(H,34,36)
InChIKeyLAJAOOCUAYRGDC-UHFFFAOYSA-N
MW520.59 g/mol
LogP5.80
Rot. Bonds11

About [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate

[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate (PubChem CID 4193307) has the molecular formula C32H28N2O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate.

Molecular Properties

Compound Name[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
PubChem CID4193307
Molecular FormulaC32H28N2O5
Molecular Weight520.59 g/mol
Exact Mass520.20
IUPAC Name[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
SMILESCC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccc(OC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C32H28N2O5/c1-24(38-29-19-17-28(18-20-29)37-23-27-10-6-3-7-11-27)32(36)34-33-22-26-12-15-30(16-13-26)39-31(35)21-14-25-8-4-2-5-9-25/h2-22,24H,23H2,1H3,(H,34,36)
InChIKeyLAJAOOCUAYRGDC-UHFFFAOYSA-N
XLogP5.80
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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

N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
CID 4048506
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
[4-bromo-2-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4069532
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3415013
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
CID 7275620
N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide
CID 6821492
2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 3295271
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
CID 4633646
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6048328

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate?
The IUPAC name of [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate (CID 4193307) is [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate.
What is the SMILES notation for [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate?
The canonical SMILES for [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate is CC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccc(OC(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate?
The InChIKey is LAJAOOCUAYRGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O5/c1-24(38-29-19-17-28(18-20-29)37-23-27-10-6-3-7-11-27)32(36)34-33-22-26-12-15-30(16-13-26)39-31(35)21-14-25-8-4-2-5-9-25/h2-22,24H,23H2,1H3,(H,34,36).
What are the key properties of [4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate?
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate has a molecular weight of 520.59 g/mol, XLogP of 5.80, 11 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] 3-phenylprop-2-enoate is sourced from PubChem (CID 4193307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).