3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide

C23H22N2O4 — CID 55856578

IUPAC3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide
SMILESCOc1ccc(OC)c(C=NOCc2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C23H22N2O4/c1-27-21-11-12-22(28-2)19(14-21)15-24-29-16-17-7-6-8-18(13-17)23(26)25-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyOZIYAFSWBVAAEB-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.51
Rot. Bonds8

About 3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide

3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide (PubChem CID 55856578) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide
PubChem CID55856578
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide
SMILESCOc1ccc(OC)c(C=NOCc2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C23H22N2O4/c1-27-21-11-12-22(28-2)19(14-21)15-24-29-16-17-7-6-8-18(13-17)23(26)25-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyOZIYAFSWBVAAEB-UHFFFAOYSA-N
XLogP4.51
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
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

N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100
1-[3-[[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 9355424
N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 1310649
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3295281
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9355358
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355379

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide?
The IUPAC name of 3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide (CID 55856578) is 3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide is COc1ccc(OC)c(C=NOCc2cccc(C(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide?
The InChIKey is OZIYAFSWBVAAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-21-11-12-22(28-2)19(14-21)15-24-29-16-17-7-6-8-18(13-17)23(26)25-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,25,26).
What are the key properties of 3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide?
3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide has a molecular weight of 390.44 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide is sourced from PubChem (CID 55856578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).