[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C19H21NO5 — CID 4126140

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2cc3ccccc3cc2O)CC(C)O1
InChIInChI=1S/C19H21NO5/c1-12-9-20(10-13(2)25-12)18(22)11-24-19(23)16-7-14-5-3-4-6-15(14)8-17(16)21/h3-8,12-13,21H,9-11H2,1-2H3
InChIKeyJSXFRHLVJHQADK-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.34
Rot. Bonds3

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 4126140) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID4126140
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2cc3ccccc3cc2O)CC(C)O1
InChIInChI=1S/C19H21NO5/c1-12-9-20(10-13(2)25-12)18(22)11-24-19(23)16-7-14-5-3-4-6-15(14)8-17(16)21/h3-8,12-13,21H,9-11H2,1-2H3
InChIKeyJSXFRHLVJHQADK-UHFFFAOYSA-N
XLogP2.34
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2362720
[2-(Cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2417959
(2-Morpholin-4-yl-2-oxoethyl) 1-hydroxynaphthalene-2-carboxylate
CID 2558920
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 4882544
4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 10671378
3-(Morpholin-4-ylcarbonyl)-2-naphthol
CID 741858
3-Hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
CID 2095897
3-Methoxy-2-naphthalenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
CID 2347973
(2-Oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate
CID 2388572
(3,3-Dimethyl-2-oxobutyl) 3-hydroxynaphthalene-2-carboxylate
CID 2412005
[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2998033
3-Hydroxy-2-naphthalenecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester
CID 2999033

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 4126140) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is CC1CN(C(=O)COC(=O)c2cc3ccccc3cc2O)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is JSXFRHLVJHQADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-9-20(10-13(2)25-12)18(22)11-24-19(23)16-7-14-5-3-4-6-15(14)8-17(16)21/h3-8,12-13,21H,9-11H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 4126140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).