3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide

C25H24ClN3O5 — CID 24581600

IUPAC3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CO/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1
InChIInChI=1S/C25H24ClN3O5/c1-27-25(31)19-4-3-5-21(13-19)29-24(30)16-34-28-14-18-8-11-22(23(12-18)32-2)33-15-17-6-9-20(26)10-7-17/h3-14H,15-16H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
InChIKeyXJEARRMERCOWSH-CCVNUDIWSA-N
MW481.94 g/mol
LogP4.28
Rot. Bonds10

About 3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide

3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide (PubChem CID 24581600) has the molecular formula C25H24ClN3O5 and a molecular weight of 481.94 g/mol. Its IUPAC name is 3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide
PubChem CID24581600
Molecular FormulaC25H24ClN3O5
Molecular Weight481.94 g/mol
Exact Mass481.14
IUPAC Name3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CO/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1
InChIInChI=1S/C25H24ClN3O5/c1-27-25(31)19-4-3-5-21(13-19)29-24(30)16-34-28-14-18-8-11-22(23(12-18)32-2)33-15-17-6-9-20(26)10-7-17/h3-14H,15-16H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
InChIKeyXJEARRMERCOWSH-CCVNUDIWSA-N
XLogP4.28
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 54.28
H-Bond Donors ≤ 52
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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Related Compounds

2-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 126380130
N-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 4265176
2-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(ethylcarbamoyl)acetamide
CID 7642554
N-(3-acetylphenyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 1182771
N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide
CID 16545370
N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide
CID 124552082
4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
CID 24605944
3-bromo-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6034793
2-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126374789
2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 3922392
N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 126380354
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide (CID 24581600) is 3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CO/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1.
What is the InChIKey of 3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide?
The InChIKey is XJEARRMERCOWSH-CCVNUDIWSA-N. The full InChI is InChI=1S/C25H24ClN3O5/c1-27-25(31)19-4-3-5-21(13-19)29-24(30)16-34-28-14-18-8-11-22(23(12-18)32-2)33-15-17-6-9-20(26)10-7-17/h3-14H,15-16H2,1-2H3,(H,27,31)(H,29,30)/b28-14+.
What are the key properties of 3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide?
3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide has a molecular weight of 481.94 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 24581600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).