methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate

C22H28N2O3 — CID 162656590

IUPACmethyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2c(C)cc(C)cc2C)ccc1N1CCOCC1
InChIInChI=1S/C22H28N2O3/c1-15-11-16(2)20(17(3)12-15)14-23-18-5-6-21(19(13-18)22(25)26-4)24-7-9-27-10-8-24/h5-6,11-13,23H,7-10,14H2,1-4H3
InChIKeyXUNWYZWOJBIYRV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.85
Rot. Bonds5

About methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate

methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate (PubChem CID 162656590) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate
PubChem CID162656590
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Namemethyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2c(C)cc(C)cc2C)ccc1N1CCOCC1
InChIInChI=1S/C22H28N2O3/c1-15-11-16(2)20(17(3)12-15)14-23-18-5-6-21(19(13-18)22(25)26-4)24-7-9-27-10-8-24/h5-6,11-13,23H,7-10,14H2,1-4H3
InChIKeyXUNWYZWOJBIYRV-UHFFFAOYSA-N
XLogP3.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate with MolForge

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Related Compounds

methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2039329
methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate
CID 6198714
methyl 5-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 3162062
5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7325755
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
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-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate?
The IUPAC name of methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate (CID 162656590) is methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate?
The canonical SMILES for methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate is COC(=O)c1cc(NCc2c(C)cc(C)cc2C)ccc1N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate?
The InChIKey is XUNWYZWOJBIYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15-11-16(2)20(17(3)12-15)14-23-18-5-6-21(19(13-18)22(25)26-4)24-7-9-27-10-8-24/h5-6,11-13,23H,7-10,14H2,1-4H3.
What are the key properties of methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate?
methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate has a molecular weight of 368.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate is sourced from PubChem (CID 162656590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).