ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate

C21H24N2O4 — CID 11326106

IUPACethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate
SMILESCCOC(=O)CCc1coc2cc(OCCc3cccc(NC)n3)ccc12
InChIInChI=1S/C21H24N2O4/c1-3-25-21(24)10-7-15-14-27-19-13-17(8-9-18(15)19)26-12-11-16-5-4-6-20(22-2)23-16/h4-6,8-9,13-14H,3,7,10-12H2,1-2H3,(H,22,23)
InChIKeyQNVSSLAISUPOKF-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.99
Rot. Bonds9

About ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate

ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate (PubChem CID 11326106) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate
PubChem CID11326106
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate
SMILESCCOC(=O)CCc1coc2cc(OCCc3cccc(NC)n3)ccc12
InChIInChI=1S/C21H24N2O4/c1-3-25-21(24)10-7-15-14-27-19-13-17(8-9-18(15)19)26-12-11-16-5-4-6-20(22-2)23-16/h4-6,8-9,13-14H,3,7,10-12H2,1-2H3,(H,22,23)
InChIKeyQNVSSLAISUPOKF-UHFFFAOYSA-N
XLogP3.99
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate with MolForge

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Related Compounds

ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate
CID 141013948
ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate
CID 14844842
ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate
CID 168752670
ethyl 3-[4-(2-aminoethoxy)-2-methylphenyl]propanoate
CID 164576670
3-(6-methyl-2-pyridinyl)propyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86911953
(2S)-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 68901306
ethyl 3-[4-methyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propanoate
CID 666172
6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine
CID 20620111
ethyl 3-[methyl-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]amino]propanoate
CID 59577636
ethyl 3-[4-(3-butoxyphenyl)sulfanyl-2-chlorophenyl]propanoate
CID 70850205
ethyl 3-[7-(2-amino-2-oxoethoxy)-4-methyl-2-oxochromen-3-yl]propanoate
CID 907563

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate?
The IUPAC name of ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate (CID 11326106) is ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate?
The canonical SMILES for ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate is CCOC(=O)CCc1coc2cc(OCCc3cccc(NC)n3)ccc12.
What is the InChIKey of ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate?
The InChIKey is QNVSSLAISUPOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-25-21(24)10-7-15-14-27-19-13-17(8-9-18(15)19)26-12-11-16-5-4-6-20(22-2)23-16/h4-6,8-9,13-14H,3,7,10-12H2,1-2H3,(H,22,23).
What are the key properties of ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate?
ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate has a molecular weight of 368.43 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate is sourced from PubChem (CID 11326106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).