3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

C15H19NO5 — CID 28932844

IUPAC3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H19NO5/c1-10-7-12(15(18)19)8-11(2)14(10)21-9-13(17)16-3-5-20-6-4-16/h7-8H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyJSKGLACBMIXJMD-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.24
Rot. Bonds4

About 3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (PubChem CID 28932844) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
PubChem CID28932844
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H19NO5/c1-10-7-12(15(18)19)8-11(2)14(10)21-9-13(17)16-3-5-20-6-4-16/h7-8H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyJSKGLACBMIXJMD-UHFFFAOYSA-N
XLogP1.24
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
2-[4-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenoxy]-1-morpholin-4-ylethanone
CID 168639205
2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952262
2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
CID 115952712
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 2709723
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
CID 5304520
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037
2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
CID 119349055

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The IUPAC name of 3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (CID 28932844) is 3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The canonical SMILES for 3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is Cc1cc(C(=O)O)cc(C)c1OCC(=O)N1CCOCC1.
What is the InChIKey of 3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The InChIKey is JSKGLACBMIXJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10-7-12(15(18)19)8-11(2)14(10)21-9-13(17)16-3-5-20-6-4-16/h7-8H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 28932844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).