4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid

C20H23NO6 — CID 69063657

IUPAC4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid
SMILESCC(=CC(=O)N1CCOCC1)c1cc2cccc(OCCCC(=O)O)c2o1
InChIInChI=1S/C20H23NO6/c1-14(12-18(22)21-7-10-25-11-8-21)17-13-15-4-2-5-16(20(15)27-17)26-9-3-6-19(23)24/h2,4-5,12-13H,3,6-11H2,1H3,(H,23,24)
InChIKeyINAFIUPFNRXHHJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.94
Rot. Bonds7

About 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid

4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid (PubChem CID 69063657) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid.

Molecular Properties

Compound Name4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid
PubChem CID69063657
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid
SMILESCC(=CC(=O)N1CCOCC1)c1cc2cccc(OCCCC(=O)O)c2o1
InChIInChI=1S/C20H23NO6/c1-14(12-18(22)21-7-10-25-11-8-21)17-13-15-4-2-5-16(20(15)27-17)26-9-3-6-19(23)24/h2,4-5,12-13H,3,6-11H2,1H3,(H,23,24)
InChIKeyINAFIUPFNRXHHJ-UHFFFAOYSA-N
XLogP2.94
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

1-morpholin-4-yl-3-[7-(1-phenylethoxy)-1-benzofuran-2-yl]but-2-en-1-one
CID 69069855
4-[[2-[4-(4-methoxyanilino)-4-oxobut-2-en-2-yl]-1-benzofuran-7-yl]oxy]butanoic acid
CID 69076339
4-[[2-[4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobut-2-en-2-yl]-1-benzofuran-7-yl]oxy]butanoic acid
CID 69064392
(2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 23111201
ethyl 4-[[2-[4-(3,4-dimethoxyanilino)-4-oxobut-2-en-2-yl]-1-benzofuran-7-yl]oxy]butanoate
CID 69072292
2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid
CID 43214310
bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13455063
(E)-3-(2-benzoyl-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one
CID 11303376
1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone
CID 175384005
(Z)-3-[7-(1-phenylethoxy)-1-benzofuran-2-yl]but-2-enoic acid
CID 57454662
1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone
CID 57228249
bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13393488

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid?
The IUPAC name of 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid (CID 69063657) is 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid.
What is the SMILES notation for 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid?
The canonical SMILES for 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid is CC(=CC(=O)N1CCOCC1)c1cc2cccc(OCCCC(=O)O)c2o1.
What is the InChIKey of 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid?
The InChIKey is INAFIUPFNRXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-14(12-18(22)21-7-10-25-11-8-21)17-13-15-4-2-5-16(20(15)27-17)26-9-3-6-19(23)24/h2,4-5,12-13H,3,6-11H2,1H3,(H,23,24).
What are the key properties of 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid?
4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid has a molecular weight of 373.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid is sourced from PubChem (CID 69063657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).