methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate

C21H24N2O3 — CID 126103179

IUPACmethyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCOCC3)cc2C)c1
InChIInChI=1S/C21H24N2O3/c1-15-4-5-17(21(24)25-3)13-20(15)22-14-18-6-7-19(12-16(18)2)23-8-10-26-11-9-23/h4-7,12-14H,8-11H2,1-3H3/b22-14+
InChIKeyFCQDMUIFRQKQAN-HYARGMPZSA-N
MW352.43 g/mol
LogP3.68
Rot. Bonds4

About methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate

methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate (PubChem CID 126103179) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate
PubChem CID126103179
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namemethyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCOCC3)cc2C)c1
InChIInChI=1S/C21H24N2O3/c1-15-4-5-17(21(24)25-3)13-20(15)22-14-18-6-7-19(12-16(18)2)23-8-10-26-11-9-23/h4-7,12-14H,8-11H2,1-3H3/b22-14+
InChIKeyFCQDMUIFRQKQAN-HYARGMPZSA-N
XLogP3.68
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126245259
N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
CID 126081286
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126246715
N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
CID 126075496
methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate
CID 126245106
4-iodo-3-methoxy-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126088890
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
1-(2-methyl-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
CID 126071092
2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 126109238
methyl 3-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylbenzoate
CID 126107817
2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 126074360

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate (CID 126103179) is methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate is COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCOCC3)cc2C)c1.
What is the InChIKey of methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate?
The InChIKey is FCQDMUIFRQKQAN-HYARGMPZSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-4-5-17(21(24)25-3)13-20(15)22-14-18-6-7-19(12-16(18)2)23-8-10-26-11-9-23/h4-7,12-14H,8-11H2,1-3H3/b22-14+.
What are the key properties of methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate?
methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate has a molecular weight of 352.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate is sourced from PubChem (CID 126103179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).