[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate

C15H19NO5 — CID 4607377

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate
SMILESCC1CN(C(=O)COC(=O)c2ccc(O)cc2)CC(C)O1
InChIInChI=1S/C15H19NO5/c1-10-7-16(8-11(2)21-10)14(18)9-20-15(19)12-3-5-13(17)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3
InChIKeyLNXZHZYOKQTBSF-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.18
Rot. Bonds3

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 4607377) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID4607377
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate
SMILESCC1CN(C(=O)COC(=O)c2ccc(O)cc2)CC(C)O1
InChIInChI=1S/C15H19NO5/c1-10-7-16(8-11(2)21-10)14(18)9-20-15(19)12-3-5-13(17)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3
InChIKeyLNXZHZYOKQTBSF-UHFFFAOYSA-N
XLogP1.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Piperidinoethoxy)benzoic acid hydrochloride
CID 5743835
(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
4-[2-(2-Oxopyrrolidin-1-yl)ethoxy]benzoic acid
CID 6497235
4-[2-(Acetylamino)ethoxy]benzoic acid
CID 660645
4-Hydroxy-benzoic acid 2-morpholin-4-yl-ethyl ester
CID 825035
4-[2-(Diethylamino)ethoxy]benzoic acid hydrochloride
CID 42937492
p-Hydroxybenzoylcholine
CID 151252
(2-Morpholin-4-yl-2-oxoethyl) 4-hydroxybenzoate
CID 2432955
Ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 2457356
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate
CID 2647994
2-(Diethylamino)-2-oxoethyl 4-hydroxybenzoate
CID 2299102
4-(Methoxycarbonyl)phenyl morpholine-4-carboxylate
CID 1080575

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate (CID 4607377) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate is CC1CN(C(=O)COC(=O)c2ccc(O)cc2)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is LNXZHZYOKQTBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10-7-16(8-11(2)21-10)14(18)9-20-15(19)12-3-5-13(17)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 293.32 g/mol, XLogP of 1.18, 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] 4-hydroxybenzoate is sourced from PubChem (CID 4607377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).