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

C22H19NO3 — CID 102302331

IUPAC(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
SMILESCOc1ccc(OC(=O)c2ccc(/N=C/c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H19NO3/c1-16-3-5-17(6-4-16)15-23-19-9-7-18(8-10-19)22(24)26-21-13-11-20(25-2)12-14-21/h3-15H,1-2H3/b23-15+
InChIKeyYHQSVURARIRSOV-HZHRSRAPSA-N
MW345.40 g/mol
LogP4.97
Rot. Bonds5

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

(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate (PubChem CID 102302331) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
PubChem CID102302331
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
SMILESCOc1ccc(OC(=O)c2ccc(/N=C/c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H19NO3/c1-16-3-5-17(6-4-16)15-23-19-9-7-18(8-10-19)22(24)26-21-13-11-20(25-2)12-14-21/h3-15H,1-2H3/b23-15+
InChIKeyYHQSVURARIRSOV-HZHRSRAPSA-N
XLogP4.97
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
[4-[(4-methoxyphenyl)methylideneamino]phenyl] 4-tert-butylbenzoate
CID 101016503
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 102305243
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(trifluoromethyl)benzoate
CID 102305246
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-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde
CID 143730124

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate?
The IUPAC name of (4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate (CID 102302331) is (4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate.
What is the SMILES notation for (4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate?
The canonical SMILES for (4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate is COc1ccc(OC(=O)c2ccc(/N=C/c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate?
The InChIKey is YHQSVURARIRSOV-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H19NO3/c1-16-3-5-17(6-4-16)15-23-19-9-7-18(8-10-19)22(24)26-21-13-11-20(25-2)12-14-21/h3-15H,1-2H3/b23-15+.
What are the key properties of (4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate?
(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate has a molecular weight of 345.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate is sourced from PubChem (CID 102302331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).