(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate

C14H17NO5 — CID 2611661

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCOCC2)c(O)c1
InChIInChI=1S/C14H17NO5/c1-10-2-3-11(12(16)8-10)14(18)20-9-13(17)15-4-6-19-7-5-15/h2-3,8,16H,4-7,9H2,1H3
InChIKeyHFRZCBSPHGNBDG-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.72
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate

(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate (PubChem CID 2611661) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate
PubChem CID2611661
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCOCC2)c(O)c1
InChIInChI=1S/C14H17NO5/c1-10-2-3-11(12(16)8-10)14(18)20-9-13(17)15-4-6-19-7-5-15/h2-3,8,16H,4-7,9H2,1H3
InChIKeyHFRZCBSPHGNBDG-UHFFFAOYSA-N
XLogP0.72
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate
CID 3969226
(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
CID 2537018
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581682
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2537005
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 142614199
2-hydroxy-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115581591
(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate
CID 40572132
(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2469983
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
(2-morpholin-4-yl-2-oxoethyl) 3-methyl-2-nitrobenzoate
CID 2612160
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate (CID 2611661) is (2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)N2CCOCC2)c(O)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate?
The InChIKey is HFRZCBSPHGNBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-10-2-3-11(12(16)8-10)14(18)20-9-13(17)15-4-6-19-7-5-15/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate has a molecular weight of 279.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2611661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).