(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate

C23H22N2O3 — CID 102305273

IUPAC(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
SMILESCOc1ccc(OC(=O)c2ccc(/C=N/c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c1-25(2)20-10-8-19(9-11-20)24-16-17-4-6-18(7-5-17)23(26)28-22-14-12-21(27-3)13-15-22/h4-16H,1-3H3/b24-16+
InChIKeyLUEPSRTXVFPHEL-LFVJCYFKSA-N
MW374.44 g/mol
LogP4.73
Rot. Bonds6

About (4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate

(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate (PubChem CID 102305273) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
PubChem CID102305273
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
SMILESCOc1ccc(OC(=O)c2ccc(/C=N/c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c1-25(2)20-10-8-19(9-11-20)24-16-17-4-6-18(7-5-17)23(26)28-22-14-12-21(27-3)13-15-22/h4-16H,1-3H3/b24-16+
InChIKeyLUEPSRTXVFPHEL-LFVJCYFKSA-N
XLogP4.73
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 102305243
[4-(trifluoromethyl)phenyl] 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305311
(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
CID 102302331
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
[4-[(4-methoxyphenyl)methylideneamino]phenyl] 4-tert-butylbenzoate
CID 101016503
[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-hexoxybenzoate
CID 101361121
[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] 4-decoxybenzoate
CID 101361123
[4-[(4-octoxyphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 122390429
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

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate?
The IUPAC name of (4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate (CID 102305273) is (4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate.
What is the SMILES notation for (4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate?
The canonical SMILES for (4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate is COc1ccc(OC(=O)c2ccc(/C=N/c3ccc(N(C)C)cc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate?
The InChIKey is LUEPSRTXVFPHEL-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-25(2)20-10-8-19(9-11-20)24-16-17-4-6-18(7-5-17)23(26)28-22-14-12-21(27-3)13-15-22/h4-16H,1-3H3/b24-16+.
What are the key properties of (4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate?
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate has a molecular weight of 374.44 g/mol, XLogP of 4.73, 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-(dimethylamino)phenyl]iminomethyl]benzoate is sourced from PubChem (CID 102305273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).