[2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate

C23H22N2O6 — CID 24561033

IUPAC[2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc(OC)c1OC(C)=O
InChIInChI=1S/C23H22N2O6/c1-15(26)31-23-20(28-2)10-16(11-21(23)29-3)13-24-25-22(27)14-30-19-9-8-17-6-4-5-7-18(17)12-19/h4-13H,14H2,1-3H3,(H,25,27)/b24-13+
InChIKeySZWUJLISBDZAAA-ZMOGYAJESA-N
MW422.44 g/mol
LogP3.31
Rot. Bonds8

About [2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate

[2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate (PubChem CID 24561033) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate
PubChem CID24561033
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name[2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc(OC)c1OC(C)=O
InChIInChI=1S/C23H22N2O6/c1-15(26)31-23-20(28-2)10-16(11-21(23)29-3)13-24-25-22(27)14-30-19-9-8-17-6-4-5-7-18(17)12-19/h4-13H,14H2,1-3H3,(H,25,27)/b24-13+
InChIKeySZWUJLISBDZAAA-ZMOGYAJESA-N
XLogP3.31
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.31
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-[(Z)-[[2-(4-cyanophenoxy)acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
CID 9316660
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 19190208
[2-methoxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6267909
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5446414
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3762152
[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 7933428
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3840478
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316108
2-(4-chlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898643
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 135738473
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate (CID 24561033) is [2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate is COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc(OC)c1OC(C)=O.
What is the InChIKey of [2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is SZWUJLISBDZAAA-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H22N2O6/c1-15(26)31-23-20(28-2)10-16(11-21(23)29-3)13-24-25-22(27)14-30-19-9-8-17-6-4-5-7-18(17)12-19/h4-13H,14H2,1-3H3,(H,25,27)/b24-13+.
What are the key properties of [2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate?
[2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 422.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 24561033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).