methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate

C19H20N2O5 — CID 7664095

IUPACmethyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)CO/N=C\c2ccccc2OC)cc1
InChIInChI=1S/C19H20N2O5/c1-24-17-6-4-3-5-16(17)12-21-26-13-18(22)20-11-14-7-9-15(10-8-14)19(23)25-2/h3-10,12H,11,13H2,1-2H3,(H,20,22)/b21-12-
InChIKeyCJDRFRWTGNQJJP-MTJSOVHGSA-N
MW356.38 g/mol
LogP2.15
Rot. Bonds8

About methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate

methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate (PubChem CID 7664095) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate
PubChem CID7664095
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)CO/N=C\c2ccccc2OC)cc1
InChIInChI=1S/C19H20N2O5/c1-24-17-6-4-3-5-16(17)12-21-26-13-18(22)20-11-14-7-9-15(10-8-14)19(23)25-2/h3-10,12H,11,13H2,1-2H3,(H,20,22)/b21-12-
InChIKeyCJDRFRWTGNQJJP-MTJSOVHGSA-N
XLogP2.15
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
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'}

Analyze methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate
CID 6905552
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 7670810
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7644287
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7703122
N-[(4-chlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670051
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7704045
N-[(2R)-butan-2-yl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664433
N-benzyl-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703253
methyl 4-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethoxy]iminomethyl]benzoate
CID 2110077
methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate
CID 7815449
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7664139
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(4-ethylphenyl)acetamide
CID 7703851

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate (CID 7664095) is methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)CO/N=C\c2ccccc2OC)cc1.
What is the InChIKey of methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate?
The InChIKey is CJDRFRWTGNQJJP-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-24-17-6-4-3-5-16(17)12-21-26-13-18(22)20-11-14-7-9-15(10-8-14)19(23)25-2/h3-10,12H,11,13H2,1-2H3,(H,20,22)/b21-12-.
What are the key properties of methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate?
methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate has a molecular weight of 356.38 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate is sourced from PubChem (CID 7664095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).