ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate

C17H21NO5 — CID 18668888

IUPACethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1
InChIInChI=1S/C17H21NO5/c1-2-21-17(19)16-12-13-11-14(3-4-15(13)23-16)22-10-7-18-5-8-20-9-6-18/h3-4,11-12H,2,5-10H2,1H3
InChIKeyVCMKVTLYVKGWIW-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.32
Rot. Bonds6

About ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate

ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate (PubChem CID 18668888) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
PubChem CID18668888
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Nameethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1
InChIInChI=1S/C17H21NO5/c1-2-21-17(19)16-12-13-11-14(3-4-15(13)23-16)22-10-7-18-5-8-20-9-6-18/h3-4,11-12H,2,5-10H2,1H3
InChIKeyVCMKVTLYVKGWIW-UHFFFAOYSA-N
XLogP2.32
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide
CID 11669849
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
(2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid
CID 143391238
ethyl 13-(2-morpholin-4-ylethoxy)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxylate
CID 59737998
5-butoxy-1-benzofuran-2-carboxylic acid
CID 67998736
ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate
CID 68697506
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
CID 170886109
methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 143419572

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate (CID 18668888) is ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1.
What is the InChIKey of ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate?
The InChIKey is VCMKVTLYVKGWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-2-21-17(19)16-12-13-11-14(3-4-15(13)23-16)22-10-7-18-5-8-20-9-6-18/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate?
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 18668888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).