methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate

C19H22N2O3 — CID 2032115

IUPACmethyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NCc2ccccc2)ccc1N1CCOCC1
InChIInChI=1S/C19H22N2O3/c1-23-19(22)17-13-16(20-14-15-5-3-2-4-6-15)7-8-18(17)21-9-11-24-12-10-21/h2-8,13,20H,9-12,14H2,1H3
InChIKeyOZGDWIASFKFUJO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.92
Rot. Bonds5

About methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate

methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate (PubChem CID 2032115) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
PubChem CID2032115
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NCc2ccccc2)ccc1N1CCOCC1
InChIInChI=1S/C19H22N2O3/c1-23-19(22)17-13-16(20-14-15-5-3-2-4-6-15)7-8-18(17)21-9-11-24-12-10-21/h2-8,13,20H,9-12,14H2,1H3
InChIKeyOZGDWIASFKFUJO-UHFFFAOYSA-N
XLogP2.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate
CID 6198714
methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate
CID 162656590
2-morpholin-4-yl-5-[(4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 4727902
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate
CID 90117734
5-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid
CID 2985527
methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2039329
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 5-(benzylamino)-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate (CID 2032115) is methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NCc2ccccc2)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate?
The InChIKey is OZGDWIASFKFUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-19(22)17-13-16(20-14-15-5-3-2-4-6-15)7-8-18(17)21-9-11-24-12-10-21/h2-8,13,20H,9-12,14H2,1H3.
What are the key properties of methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate?
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate has a molecular weight of 326.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 2032115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).