[4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate

C26H24N2O5 — CID 5078894

IUPAC[4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESC=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C26H24N2O5/c1-3-7-19-12-15-23(24(16-19)31-2)32-18-25(29)28-27-17-20-10-13-22(14-11-20)33-26(30)21-8-5-4-6-9-21/h3-6,8-17H,1,7,18H2,2H3,(H,28,29)
InChIKeyOZSDSJXZVRYIBD-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.17
Rot. Bonds10

About [4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate

[4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 5078894) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is [4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
PubChem CID5078894
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name[4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESC=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C26H24N2O5/c1-3-7-19-12-15-23(24(16-19)31-2)32-18-25(29)28-27-17-20-10-13-22(14-11-20)33-26(30)21-8-5-4-6-9-21/h3-6,8-17H,1,7,18H2,2H3,(H,28,29)
InChIKeyOZSDSJXZVRYIBD-UHFFFAOYSA-N
XLogP4.17
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3504069
[4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4249598
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(E)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 19577478
[1-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 5045105
[2-methoxy-4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6003509
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6271641
[2-methoxy-4-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6301184
[2-methoxy-4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4112044
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 6142929
[2-methoxy-4-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 45055235
[4-[(Z)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 28628563
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 3427707

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate (CID 5078894) is [4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)c(OC)c1.
What is the InChIKey of [4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is OZSDSJXZVRYIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-3-7-19-12-15-23(24(16-19)31-2)32-18-25(29)28-27-17-20-10-13-22(14-11-20)33-26(30)21-8-5-4-6-9-21/h3-6,8-17H,1,7,18H2,2H3,(H,28,29).
What are the key properties of [4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate?
[4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 444.49 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 5078894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).