methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate

C19H22N2O4 — CID 90117734

IUPACmethyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2ccc(N3CCOCC3)cc2)ccc1O
InChIInChI=1S/C19H22N2O4/c1-24-19(23)17-12-15(4-7-18(17)22)20-13-14-2-5-16(6-3-14)21-8-10-25-11-9-21/h2-7,12,20,22H,8-11,13H2,1H3
InChIKeyRWNUGESXKGTXNF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.63
Rot. Bonds5

About methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate

methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate (PubChem CID 90117734) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate
PubChem CID90117734
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2ccc(N3CCOCC3)cc2)ccc1O
InChIInChI=1S/C19H22N2O4/c1-24-19(23)17-12-15(4-7-18(17)22)20-13-14-2-5-16(6-3-14)21-8-10-25-11-9-21/h2-7,12,20,22H,8-11,13H2,1H3
InChIKeyRWNUGESXKGTXNF-UHFFFAOYSA-N
XLogP2.63
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7404874
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate
CID 162656590
5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7325755
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate
CID 4727980
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
2-chloro-4-[(4-pyrrolidin-1-ylphenyl)methylamino]phenol
CID 107678054
methyl 5-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326508

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate (CID 90117734) is methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate is COC(=O)c1cc(NCc2ccc(N3CCOCC3)cc2)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate?
The InChIKey is RWNUGESXKGTXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-19(23)17-12-15(4-7-18(17)22)20-13-14-2-5-16(6-3-14)21-8-10-25-11-9-21/h2-7,12,20,22H,8-11,13H2,1H3.
What are the key properties of methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate?
methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate is sourced from PubChem (CID 90117734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).