ethyl 3-methoxy-5-morpholin-4-ylbenzoate

C14H19NO4 — CID 69175826

IUPACethyl 3-methoxy-5-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(OC)cc(N2CCOCC2)c1
InChIInChI=1S/C14H19NO4/c1-3-19-14(16)11-8-12(10-13(9-11)17-2)15-4-6-18-7-5-15/h8-10H,3-7H2,1-2H3
InChIKeySWIGQIMCVVSZIK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.71
Rot. Bonds4

About ethyl 3-methoxy-5-morpholin-4-ylbenzoate

ethyl 3-methoxy-5-morpholin-4-ylbenzoate (PubChem CID 69175826) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 3-methoxy-5-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 3-methoxy-5-morpholin-4-ylbenzoate
PubChem CID69175826
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 3-methoxy-5-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(OC)cc(N2CCOCC2)c1
InChIInChI=1S/C14H19NO4/c1-3-19-14(16)11-8-12(10-13(9-11)17-2)15-4-6-18-7-5-15/h8-10H,3-7H2,1-2H3
InChIKeySWIGQIMCVVSZIK-UHFFFAOYSA-N
XLogP1.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4Z)-4-[(4-ethoxycarbonylphenyl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxopyrrole-3-carboxylate
CID 168283247
Methyl 5-methoxy-2-[(2-methoxy-2-oxoethyl)-methylamino]benzoate
CID 13840823
Methyl 2-methoxy-4-morpholinobenzoate
CID 59564153
2-(4-Morpholinyl)ethyl 2-[(3-methoxyanilino)carbonyl]benzoate
CID 23728106
Methyl 2-[1-[3-[1-[4-(4-fluorophenyl)butoxy]pentyl]-5-methoxyphenyl]piperidin-2-yl]acetate
CID 19856500
4-Fluoro-2-methoxy-5-morpholin-4-yl-benzoic acid methyl ester
CID 22093490
Ethyl 3-[(3,3,3-trifluoro-2-hydroxypropyl)-[[3-(trifluoromethoxy)phenyl]methyl]amino]benzoate
CID 23378813
Methyl 2-(2,2,2-trifluoro-ethoxy)-4-(4-morpholinyl)phenylacetate
CID 54395758
3-(Pyrrolidin-1-yl)-5-(trifluoromethoxy)benzoic Acid
CID 67452975
3-Morpholino-5-(trifluoromethoxy)benzoic Acid
CID 67454022
3-[2-[[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]methyl]morpholin-4-yl]-5-(trifluoromethoxy)benzoic acid
CID 68293119
3-[(2R)-2-[[2-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-5-(trifluoromethoxy)benzoic acid
CID 68293121

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-5-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 3-methoxy-5-morpholin-4-ylbenzoate (CID 69175826) is ethyl 3-methoxy-5-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 3-methoxy-5-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 3-methoxy-5-morpholin-4-ylbenzoate is CCOC(=O)c1cc(OC)cc(N2CCOCC2)c1.
What is the InChIKey of ethyl 3-methoxy-5-morpholin-4-ylbenzoate?
The InChIKey is SWIGQIMCVVSZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-14(16)11-8-12(10-13(9-11)17-2)15-4-6-18-7-5-15/h8-10H,3-7H2,1-2H3.
What are the key properties of ethyl 3-methoxy-5-morpholin-4-ylbenzoate?
ethyl 3-methoxy-5-morpholin-4-ylbenzoate has a molecular weight of 265.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-5-morpholin-4-ylbenzoate is sourced from PubChem (CID 69175826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).