2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide

C17H18N2O3 — CID 24606299

IUPAC2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CO/N=C/c2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c1-21-16-9-5-8-15(10-16)11-18-17(20)13-22-19-12-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,18,20)/b19-12+
InChIKeyFWEQTLFBVNVKHE-XDHOZWIPSA-N
MW298.34 g/mol
LogP2.36
Rot. Bonds7

About 2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide

2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 24606299) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID24606299
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CO/N=C/c2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c1-21-16-9-5-8-15(10-16)11-18-17(20)13-22-19-12-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,18,20)/b19-12+
InChIKeyFWEQTLFBVNVKHE-XDHOZWIPSA-N
XLogP2.36
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823217
N-[(4-methoxyphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705410
N-[(3-chlorophenyl)methyl]-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7699104
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide
CID 5145094
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7277057
2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
CID 7643814
N-benzyl-2-[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111250667

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide (CID 24606299) is 2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CO/N=C/c2ccccc2)c1.
What is the InChIKey of 2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is FWEQTLFBVNVKHE-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-16-9-5-8-15(10-16)11-18-17(20)13-22-19-12-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,18,20)/b19-12+.
What are the key properties of 2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide?
2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 24606299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).