(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate

C22H19NO4 — CID 102302326

IUPAC(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
SMILESCOc1ccc(/C=N/c2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C22H19NO4/c1-25-19-9-3-16(4-10-19)15-23-18-7-5-17(6-8-18)22(24)27-21-13-11-20(26-2)12-14-21/h3-15H,1-2H3/b23-15+
InChIKeyRMGBXZBXQYODSS-HZHRSRAPSA-N
MW361.40 g/mol
LogP4.67
Rot. Bonds6

About (4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate

(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate (PubChem CID 102302326) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
PubChem CID102302326
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
SMILESCOc1ccc(/C=N/c2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C22H19NO4/c1-25-19-9-3-16(4-10-19)15-23-18-7-5-17(6-8-18)22(24)27-21-13-11-20(26-2)12-14-21/h3-15H,1-2H3/b23-15+
InChIKeyRMGBXZBXQYODSS-HZHRSRAPSA-N
XLogP4.67
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
CID 102302331
[4-[(4-methoxyphenyl)methylideneamino]phenyl] 4-tert-butylbenzoate
CID 101016503
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
butyl 4-[[4-(4-methoxybenzoyl)oxyphenyl]methylideneamino]benzoate
CID 102267927
(4-butan-2-yloxycarbonylphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102267943
[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
CID 102453857
pentan-2-yl 4-[[4-(4-methoxybenzoyl)oxyphenyl]methylideneamino]benzoate
CID 102267928
[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate
CID 5415416
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 102305243
[4-[4-[[4-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenyl]iminomethyl]phenoxy]carbonylphenyl] 4-hexadecoxybenzoate
CID 122226106
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(trifluoromethyl)benzoate
CID 102305246

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate?
The IUPAC name of (4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate (CID 102302326) is (4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate.
What is the SMILES notation for (4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate?
The canonical SMILES for (4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate is COc1ccc(/C=N/c2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate?
The InChIKey is RMGBXZBXQYODSS-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H19NO4/c1-25-19-9-3-16(4-10-19)15-23-18-7-5-17(6-8-18)22(24)27-21-13-11-20(26-2)12-14-21/h3-15H,1-2H3/b23-15+.
What are the key properties of (4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate?
(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate is sourced from PubChem (CID 102302326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).