methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate

C24H24N2O2 — CID 144967880

IUPACmethyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate
SMILESCO/C(=N\c1ccc(/N=C(\C)c2ccccc2C)cc1)c1ccccc1OC
InChIInChI=1S/C24H24N2O2/c1-17-9-5-6-10-21(17)18(2)25-19-13-15-20(16-14-19)26-24(28-4)22-11-7-8-12-23(22)27-3/h5-16H,1-4H3/b25-18+,26-24-
InChIKeyMVOFYQFXCMBLQZ-JHUZKGLQSA-N
MW372.47 g/mol
LogP5.87
Rot. Bonds5

About methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate

methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate (PubChem CID 144967880) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate.

Molecular Properties

Compound Namemethyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate
PubChem CID144967880
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Namemethyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate
SMILESCO/C(=N\c1ccc(/N=C(\C)c2ccccc2C)cc1)c1ccccc1OC
InChIInChI=1S/C24H24N2O2/c1-17-9-5-6-10-21(17)18(2)25-19-13-15-20(16-14-19)26-24(28-4)22-11-7-8-12-23(22)27-3/h5-16H,1-4H3/b25-18+,26-24-
InChIKeyMVOFYQFXCMBLQZ-JHUZKGLQSA-N
XLogP5.87
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.87
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate?
The IUPAC name of methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate (CID 144967880) is methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate.
What is the SMILES notation for methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate?
The canonical SMILES for methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate is CO/C(=N\c1ccc(/N=C(\C)c2ccccc2C)cc1)c1ccccc1OC.
What is the InChIKey of methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate?
The InChIKey is MVOFYQFXCMBLQZ-JHUZKGLQSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17-9-5-6-10-21(17)18(2)25-19-13-15-20(16-14-19)26-24(28-4)22-11-7-8-12-23(22)27-3/h5-16H,1-4H3/b25-18+,26-24-.
What are the key properties of methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate?
methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate has a molecular weight of 372.47 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate is sourced from PubChem (CID 144967880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).