methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate

C20H22N2O4 — CID 126245259

IUPACmethyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1
InChIInChI=1S/C20H22N2O4/c1-24-19-13-18(22-9-11-26-12-10-22)8-5-16(19)14-21-17-6-3-15(4-7-17)20(23)25-2/h3-8,13-14H,9-12H2,1-2H3/b21-14+
InChIKeyGEFMKIHPAQTVGS-KGENOOAVSA-N
MW354.41 g/mol
LogP3.07
Rot. Bonds5

About methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate

methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate (PubChem CID 126245259) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate
PubChem CID126245259
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1
InChIInChI=1S/C20H22N2O4/c1-24-19-13-18(22-9-11-26-12-10-22)8-5-16(19)14-21-17-6-3-15(4-7-17)20(23)25-2/h3-8,13-14H,9-12H2,1-2H3/b21-14+
InChIKeyGEFMKIHPAQTVGS-KGENOOAVSA-N
XLogP3.07
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone
CID 126236474
methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate
CID 126245106
N-(4-bromo-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126227520
1-(2-methoxy-4-morpholin-4-ylphenyl)-N-(3-methylphenyl)methanimine
CID 126238269
N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126241546
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126103179
4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol
CID 126239963
1-(2-methoxy-4-piperidin-1-ylphenyl)-N-(4-methylphenyl)methanimine
CID 126234630
2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6056382
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126246715
N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 126230211

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate?
The IUPAC name of methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate (CID 126245259) is methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate.
What is the SMILES notation for methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate?
The canonical SMILES for methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate is COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1.
What is the InChIKey of methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate?
The InChIKey is GEFMKIHPAQTVGS-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-19-13-18(22-9-11-26-12-10-22)8-5-16(19)14-21-17-6-3-15(4-7-17)20(23)25-2/h3-8,13-14H,9-12H2,1-2H3/b21-14+.
What are the key properties of methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate?
methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate is sourced from PubChem (CID 126245259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).