methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate

C17H17NO4 — CID 6905552

IUPACmethyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(CO/N=C/c2ccccc2OC)cc1
InChIInChI=1S/C17H17NO4/c1-20-16-6-4-3-5-15(16)11-18-22-12-13-7-9-14(10-8-13)17(19)21-2/h3-11H,12H2,1-2H3/b18-11+
InChIKeyJTPQYENVKOKNIC-WOJGMQOQSA-N
MW299.33 g/mol
LogP3.03
Rot. Bonds6

About methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate

methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate (PubChem CID 6905552) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate
PubChem CID6905552
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(CO/N=C/c2ccccc2OC)cc1
InChIInChI=1S/C17H17NO4/c1-20-16-6-4-3-5-15(16)11-18-22-12-13-7-9-14(10-8-13)17(19)21-2/h3-11H,12H2,1-2H3/b18-11+
InChIKeyJTPQYENVKOKNIC-WOJGMQOQSA-N
XLogP3.03
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate
CID 7664095
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2435222
methyl 4-[[2-[(methoxycarbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2590045
methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2165957
(E)-3-[4-[(E)-(4-methoxycarbonylphenyl)methoxyiminomethyl]phenyl]prop-2-enoic acid
CID 87528511
methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 7986305
4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate
CID 8893950
methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate
CID 7704176
(E)-N-ethoxy-1-(2-methoxyphenyl)methanimine
CID 11378847
methyl 4-[(E)-(4-cyanophenyl)methoxyiminomethyl]benzoate
CID 6905546
methyl 4-[[2-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 7934580

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate (CID 6905552) is methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate is COC(=O)c1ccc(CO/N=C/c2ccccc2OC)cc1.
What is the InChIKey of methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate?
The InChIKey is JTPQYENVKOKNIC-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-16-6-4-3-5-15(16)11-18-22-12-13-7-9-14(10-8-13)17(19)21-2/h3-11H,12H2,1-2H3/b18-11+.
What are the key properties of methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate?
methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate has a molecular weight of 299.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate is sourced from PubChem (CID 6905552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).