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

C18H19NO5 — CID 6905549

IUPACmethyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(CO/N=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H19NO5/c1-21-16-9-8-15(17(10-16)22-2)11-19-24-12-13-4-6-14(7-5-13)18(20)23-3/h4-11H,12H2,1-3H3/b19-11+
InChIKeyYNTCOWBLISHQBX-YBFXNURJSA-N
MW329.35 g/mol
LogP3.04
Rot. Bonds7

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

methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate (PubChem CID 6905549) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate
PubChem CID6905549
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(CO/N=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H19NO5/c1-21-16-9-8-15(17(10-16)22-2)11-19-24-12-13-4-6-14(7-5-13)18(20)23-3/h4-11H,12H2,1-3H3/b19-11+
InChIKeyYNTCOWBLISHQBX-YBFXNURJSA-N
XLogP3.04
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate (CID 6905549) is methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate is COC(=O)c1ccc(CO/N=C/c2ccc(OC)cc2OC)cc1.
What is the InChIKey of methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate?
The InChIKey is YNTCOWBLISHQBX-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19NO5/c1-21-16-9-8-15(17(10-16)22-2)11-19-24-12-13-4-6-14(7-5-13)18(20)23-3/h4-11H,12H2,1-3H3/b19-11+.
What are the key properties of methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate?
methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate has a molecular weight of 329.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxymethyl]benzoate is sourced from PubChem (CID 6905549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).