ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate

C20H24N2O5 — CID 133171031

IUPACethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O5/c1-4-26-20(23)14-27-17-8-5-15(6-9-17)12-21-22-13-16-7-10-18(24-2)19(11-16)25-3/h5-12,22H,4,13-14H2,1-3H3/b21-12+
InChIKeyBAKONNWZLXTZNT-CIAFOILYSA-N
MW372.42 g/mol
LogP2.77
Rot. Bonds10

About ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate

ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate (PubChem CID 133171031) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate
PubChem CID133171031
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Nameethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O5/c1-4-26-20(23)14-27-17-8-5-15(6-9-17)12-21-22-13-16-7-10-18(24-2)19(11-16)25-3/h5-12,22H,4,13-14H2,1-3H3/b21-12+
InChIKeyBAKONNWZLXTZNT-CIAFOILYSA-N
XLogP2.77
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 133169157
ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 21370822
1-(3,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]methanamine
CID 92658261
methyl 2-[2-bromo-4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 133169184
ethyl 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 4279032
1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine
CID 92658500
1-(3,4-dimethoxyphenyl)-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]methanamine
CID 133169319
1-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]methanamine
CID 92658176
ethyl 2-[3-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]acetate
CID 92658314
ethyl 2-[3-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]acetate
CID 133169000
ethyl 2-[4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 5110362
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate (CID 133171031) is ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate is CCOC(=O)COc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is BAKONNWZLXTZNT-CIAFOILYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-4-26-20(23)14-27-17-8-5-15(6-9-17)12-21-22-13-16-7-10-18(24-2)19(11-16)25-3/h5-12,22H,4,13-14H2,1-3H3/b21-12+.
What are the key properties of ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate?
ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 372.42 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 133171031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).