[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate

C18H18N2O5 — CID 5410556

IUPAC[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1ccc(OCC(=O)N/N=C\c2ccccc2OC(C)=O)cc1
InChIInChI=1S/C18H18N2O5/c1-13(21)25-17-6-4-3-5-14(17)11-19-20-18(22)12-24-16-9-7-15(23-2)8-10-16/h3-11H,12H2,1-2H3,(H,20,22)/b19-11-
InChIKeyFIIKQEDSRWFWHH-ODLFYWEKSA-N
MW342.35 g/mol
LogP2.15
Rot. Bonds7

About [2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate

[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate (PubChem CID 5410556) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
PubChem CID5410556
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1ccc(OCC(=O)N/N=C\c2ccccc2OC(C)=O)cc1
InChIInChI=1S/C18H18N2O5/c1-13(21)25-17-6-4-3-5-14(17)11-19-20-18(22)12-24-16-9-7-15(23-2)8-10-16/h3-11H,12H2,1-2H3,(H,20,22)/b19-11-
InChIKeyFIIKQEDSRWFWHH-ODLFYWEKSA-N
XLogP2.15
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.15
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

ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3510174
[2-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 1243771
methyl 2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217614
2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 912843
[2-[[[3-[2-[[2-(4-methoxybenzoyl)oxyphenyl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4604297
[2-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 46501404
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6271641
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837
[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
CID 25251494
2-[2-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 805205
2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 5450742

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate (CID 5410556) is [2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate is COc1ccc(OCC(=O)N/N=C\c2ccccc2OC(C)=O)cc1.
What is the InChIKey of [2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is FIIKQEDSRWFWHH-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-13(21)25-17-6-4-3-5-14(17)11-19-20-18(22)12-24-16-9-7-15(23-2)8-10-16/h3-11H,12H2,1-2H3,(H,20,22)/b19-11-.
What are the key properties of [2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate?
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 342.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 5410556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).