ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate

C20H22N2O6 — CID 3510174

IUPACethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C=NNC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C20H22N2O6/c1-3-26-20(24)14-28-18-7-5-4-6-15(18)12-21-22-19(23)13-27-17-10-8-16(25-2)9-11-17/h4-12H,3,13-14H2,1-2H3,(H,22,23)
InChIKeyIAXNFZPGLOGYIU-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.17
Rot. Bonds10

About ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate

ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 3510174) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID3510174
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Nameethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C=NNC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C20H22N2O6/c1-3-26-20(24)14-28-18-7-5-4-6-15(18)12-21-22-19(23)13-27-17-10-8-16(25-2)9-11-17/h4-12H,3,13-14H2,1-2H3,(H,22,23)
InChIKeyIAXNFZPGLOGYIU-UHFFFAOYSA-N
XLogP2.17
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.17
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

ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 1034871
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 5410556
ethyl 2-[2-[(Z)-[[2-(2,4,6-trichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 5440418
2-[2-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 805205
N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968708
2-(3,4-dimethylphenoxy)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 9316184
ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 21370822
methyl 2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217614
2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 912843
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
2-(2-methoxyphenoxy)-N-[(E)-(2-propoxyphenyl)methylideneamino]acetamide
CID 6872121
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 3510174) is ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate is CCOC(=O)COc1ccccc1C=NNC(=O)COc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is IAXNFZPGLOGYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-3-26-20(24)14-28-18-7-5-4-6-15(18)12-21-22-19(23)13-27-17-10-8-16(25-2)9-11-17/h4-12H,3,13-14H2,1-2H3,(H,22,23).
What are the key properties of ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 386.40 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 3510174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).