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

C21H24N2O4 — CID 126245106

IUPACmethyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(/N=C/c2ccc(N3CCOCC3)cc2OC)c1C
InChIInChI=1S/C21H24N2O4/c1-15-18(21(24)26-3)5-4-6-19(15)22-14-16-7-8-17(13-20(16)25-2)23-9-11-27-12-10-23/h4-8,13-14H,9-12H2,1-3H3/b22-14+
InChIKeyOLFHKVDKAIRNNP-HYARGMPZSA-N
MW368.43 g/mol
LogP3.38
Rot. Bonds5

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

methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate (PubChem CID 126245106) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate
PubChem CID126245106
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(/N=C/c2ccc(N3CCOCC3)cc2OC)c1C
InChIInChI=1S/C21H24N2O4/c1-15-18(21(24)26-3)5-4-6-19(15)22-14-16-7-8-17(13-20(16)25-2)23-9-11-27-12-10-23/h4-8,13-14H,9-12H2,1-3H3/b22-14+
InChIKeyOLFHKVDKAIRNNP-HYARGMPZSA-N
XLogP3.38
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.38
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

methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126245259
1-(2-methoxy-4-morpholin-4-ylphenyl)-N-(3-methylphenyl)methanimine
CID 126238269
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
methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126103179
N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 126230211
N-(4-bromo-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126227520
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
3-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-methylbenzoic acid
CID 126108019
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
(E)-4-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxobut-3-enoic acid
CID 126743116
N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126241546

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate?
The IUPAC name of methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate (CID 126245106) is methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate is COC(=O)c1cccc(/N=C/c2ccc(N3CCOCC3)cc2OC)c1C.
What is the InChIKey of methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate?
The InChIKey is OLFHKVDKAIRNNP-HYARGMPZSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-18(21(24)26-3)5-4-6-19(15)22-14-16-7-8-17(13-20(16)25-2)23-9-11-27-12-10-23/h4-8,13-14H,9-12H2,1-3H3/b22-14+.
What are the key properties of methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate?
methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate has a molecular weight of 368.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate is sourced from PubChem (CID 126245106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).