methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate

C24H24N2O4 — CID 122577770

IUPACmethyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate
SMILESCO/C(=N\c1ccc(/N=C(\OC)c2ccccc2OC)cc1)c1ccccc1OC
InChIInChI=1S/C24H24N2O4/c1-27-21-11-7-5-9-19(21)23(29-3)25-17-13-15-18(16-14-17)26-24(30-4)20-10-6-8-12-22(20)28-2/h5-16H,1-4H3/b25-23-,26-24-
InChIKeyOSMLJJXUAPMNJO-YPAXQUSRSA-N
MW404.47 g/mol
LogP5.15
Rot. Bonds6

About methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate

methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate (PubChem CID 122577770) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate.

Molecular Properties

Compound Namemethyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate
PubChem CID122577770
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namemethyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate
SMILESCO/C(=N\c1ccc(/N=C(\OC)c2ccccc2OC)cc1)c1ccccc1OC
InChIInChI=1S/C24H24N2O4/c1-27-21-11-7-5-9-19(21)23(29-3)25-17-13-15-18(16-14-17)26-24(30-4)20-10-6-8-12-22(20)28-2/h5-16H,1-4H3/b25-23-,26-24-
InChIKeyOSMLJJXUAPMNJO-YPAXQUSRSA-N
XLogP5.15
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate
CID 144967880
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
CID 10614468
2-methoxybenzoate;hydrochloride
CID 18793456
ethane;methyl 2-methoxybenzoate
CID 178037044
3-chloro-3-(2-methoxyphenyl)prop-2-enenitrile
CID 74864079
2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
(Z)-but-2-ene;2-methoxy-N-methylbenzamide
CID 144547446
1-methoxy-2-[1-[1-(2-methoxyphenyl)ethenoxy]ethenyl]benzene
CID 69260601
CID 135043978
CID 135043978
2-methoxybenzoyl iodide
CID 139677083
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate?
The IUPAC name of methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate (CID 122577770) is methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate.
What is the SMILES notation for methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate?
The canonical SMILES for methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate is CO/C(=N\c1ccc(/N=C(\OC)c2ccccc2OC)cc1)c1ccccc1OC.
What is the InChIKey of methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate?
The InChIKey is OSMLJJXUAPMNJO-YPAXQUSRSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-27-21-11-7-5-9-19(21)23(29-3)25-17-13-15-18(16-14-17)26-24(30-4)20-10-6-8-12-22(20)28-2/h5-16H,1-4H3/b25-23-,26-24-.
What are the key properties of methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate?
methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate has a molecular weight of 404.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate is sourced from PubChem (CID 122577770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).