methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate

C23H24N2O3 — CID 2035033

IUPACmethyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
SMILESCOC(=O)c1cc(NCc2cccc3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C23H24N2O3/c1-27-23(26)21-15-19(9-10-22(21)25-11-13-28-14-12-25)24-16-18-7-4-6-17-5-2-3-8-20(17)18/h2-10,15,24H,11-14,16H2,1H3
InChIKeyZCPNORKMZJYCEF-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.08
Rot. Bonds5

About methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate

methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate (PubChem CID 2035033) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
PubChem CID2035033
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Namemethyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
SMILESCOC(=O)c1cc(NCc2cccc3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C23H24N2O3/c1-27-23(26)21-15-19(9-10-22(21)25-11-13-28-14-12-25)24-16-18-7-4-6-17-5-2-3-8-20(17)18/h2-10,15,24H,11-14,16H2,1H3
InChIKeyZCPNORKMZJYCEF-UHFFFAOYSA-N
XLogP4.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.08
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-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 3162062
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2039329
methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate
CID 162656590
methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate
CID 6198714
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7011815
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
methyl 5-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326508
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate?
The IUPAC name of methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate (CID 2035033) is methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate?
The canonical SMILES for methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate is COC(=O)c1cc(NCc2cccc3ccccc23)ccc1N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate?
The InChIKey is ZCPNORKMZJYCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-23(26)21-15-19(9-10-22(21)25-11-13-28-14-12-25)24-16-18-7-4-6-17-5-2-3-8-20(17)18/h2-10,15,24H,11-14,16H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate?
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate has a molecular weight of 376.46 g/mol, XLogP of 4.08, 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-(naphthalen-1-ylmethylamino)benzoate is sourced from PubChem (CID 2035033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).