[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate

C23H22N2O6 — CID 1243915

IUPAC[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
SMILESCCOc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1ccco1
InChIInChI=1S/C23H22N2O6/c1-3-28-21-13-17(10-11-19(21)31-23(27)20-9-6-12-29-20)14-24-25-22(26)15-30-18-8-5-4-7-16(18)2/h4-14H,3,15H2,1-2H3,(H,25,26)
InChIKeyGGXZNLCVSYHPDB-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.74
Rot. Bonds9

About [2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate

[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate (PubChem CID 1243915) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is [2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
PubChem CID1243915
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
SMILESCCOc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1ccco1
InChIInChI=1S/C23H22N2O6/c1-3-28-21-13-17(10-11-19(21)31-23(27)20-9-6-12-29-20)14-24-25-22(26)15-30-18-8-5-4-7-16(18)2/h4-14H,3,15H2,1-2H3,(H,25,26)
InChIKeyGGXZNLCVSYHPDB-UHFFFAOYSA-N
XLogP3.74
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.74
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(E)-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] furan-2-carboxylate
CID 43907026
[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5202746
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
[2-ethoxy-4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6116772
[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 4601416
(2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530496
[4-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 71952291
[4-[(E)-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 25251991
[4-[(Z)-[[2-(2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
CID 41145133
[2-methoxy-4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5458065
[2-methoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methoxybenzoate
CID 1246963
[2-ethoxy-4-[[[3-[(3-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 126223416

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate (CID 1243915) is [2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is CCOc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1ccco1.
What is the InChIKey of [2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
The InChIKey is GGXZNLCVSYHPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-3-28-21-13-17(10-11-19(21)31-23(27)20-9-6-12-29-20)14-24-25-22(26)15-30-18-8-5-4-7-16(18)2/h4-14H,3,15H2,1-2H3,(H,25,26).
What are the key properties of [2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate?
[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate has a molecular weight of 422.44 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 1243915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).