ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate

C22H25N3O6 — CID 6043138

IUPACethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C=N\NC(=O)CNC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C22H25N3O6/c1-3-29-22(28)15-30-18-10-8-17(9-11-18)12-24-25-20(26)13-23-21(27)14-31-19-7-5-4-6-16(19)2/h4-12H,3,13-15H2,1-2H3,(H,23,27)(H,25,26)/b24-12-
InChIKeySNMAESZZLLNRNL-MSXFZWOLSA-N
MW427.46 g/mol
LogP1.58
Rot. Bonds11

About ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate

ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 6043138) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID6043138
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Nameethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C=N\NC(=O)CNC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C22H25N3O6/c1-3-29-22(28)15-30-18-10-8-17(9-11-18)12-24-25-20(26)13-23-21(27)14-31-19-7-5-4-6-16(19)2/h4-12H,3,13-15H2,1-2H3,(H,23,27)(H,25,26)/b24-12-
InChIKeySNMAESZZLLNRNL-MSXFZWOLSA-N
XLogP1.58
TPSA115.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
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

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6110034
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
CID 3520224
ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3510174
N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
CID 45054416
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126381979
2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6875330
N-(3-chlorophenyl)-2-[4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5429335
N-(3-chlorophenyl)-2-[4-[(E)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 6876847
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
[4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6025641

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 6043138) is ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate is CCOC(=O)COc1ccc(/C=N\NC(=O)CNC(=O)COc2ccccc2C)cc1.
What is the InChIKey of ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is SNMAESZZLLNRNL-MSXFZWOLSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-3-29-22(28)15-30-18-10-8-17(9-11-18)12-24-25-20(26)13-23-21(27)14-31-19-7-5-4-6-16(19)2/h4-12H,3,13-15H2,1-2H3,(H,23,27)(H,25,26)/b24-12-.
What are the key properties of ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate?
ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 427.46 g/mol, XLogP of 1.58, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 6043138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).