methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate

C22H20N2O2 — CID 122577864

IUPACmethyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
SMILESCO/C(=N\c1ccc(/N=C(\OC)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-25-21(17-9-5-3-6-10-17)23-19-13-15-20(16-14-19)24-22(26-2)18-11-7-4-8-12-18/h3-16H,1-2H3/b23-21-,24-22-
InChIKeyOTQZNIGYNIONBQ-SXAUZNKPSA-N
MW344.41 g/mol
LogP5.14
Rot. Bonds4

About methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate

methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate (PubChem CID 122577864) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate.

Molecular Properties

Compound Namemethyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
PubChem CID122577864
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Namemethyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
SMILESCO/C(=N\c1ccc(/N=C(\OC)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-25-21(17-9-5-3-6-10-17)23-19-13-15-20(16-14-19)24-22(26-2)18-11-7-4-8-12-18/h3-16H,1-2H3/b23-21-,24-22-
InChIKeyOTQZNIGYNIONBQ-SXAUZNKPSA-N
XLogP5.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-hydroxybenzenecarboximidate
CID 583889
methyl N-methylbenzenecarboximidate
CID 519475
methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate
CID 122577817
methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577770
ethyl N-[4-[4-[[ethoxy(phenyl)methylidene]amino]phenoxy]phenyl]benzenecarboximidate
CID 122577792
methyl N-acetylbenzenecarboximidate
CID 13028603
methyl N-methoxycarbonylbenzenecarboximidate
CID 86114469
[methoxy(phenyl)methylidene]manganese
CID 134898444
methyl 4-[[phenyl(phenyldiazenyl)methylidene]amino]benzoate
CID 20833878
[tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate
CID 101150600
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
methyl 5-methoxy-N-phenylpyrazine-2-carboximidate
CID 155797385

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate?
The IUPAC name of methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate (CID 122577864) is methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate.
What is the SMILES notation for methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate?
The canonical SMILES for methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate is CO/C(=N\c1ccc(/N=C(\OC)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate?
The InChIKey is OTQZNIGYNIONBQ-SXAUZNKPSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-21(17-9-5-3-6-10-17)23-19-13-15-20(16-14-19)24-22(26-2)18-11-7-4-8-12-18/h3-16H,1-2H3/b23-21-,24-22-.
What are the key properties of methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate?
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate has a molecular weight of 344.41 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate is sourced from PubChem (CID 122577864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).