1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride

C18H24ClNO4 — CID 24838037

IUPAC1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride
SMILESCCN(CC)CCOc1cc2oc(C(C)=O)cc2cc1C(C)=O.Cl
InChIInChI=1S/C18H23NO4.ClH/c1-5-19(6-2)7-8-22-18-11-17-14(9-15(18)12(3)20)10-16(23-17)13(4)21;/h9-11H,5-8H2,1-4H3;1H
InChIKeyNZYIYYNPEWANTB-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.98
Rot. Bonds8

About 1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride

1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride (PubChem CID 24838037) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride
PubChem CID24838037
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Name1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride
SMILESCCN(CC)CCOc1cc2oc(C(C)=O)cc2cc1C(C)=O.Cl
InChIInChI=1S/C18H23NO4.ClH/c1-5-19(6-2)7-8-22-18-11-17-14(9-15(18)12(3)20)10-16(23-17)13(4)21;/h9-11H,5-8H2,1-4H3;1H
InChIKeyNZYIYYNPEWANTB-UHFFFAOYSA-N
XLogP3.98
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride?
The IUPAC name of 1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride (CID 24838037) is 1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride is CCN(CC)CCOc1cc2oc(C(C)=O)cc2cc1C(C)=O.Cl.
What is the InChIKey of 1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride?
The InChIKey is NZYIYYNPEWANTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4.ClH/c1-5-19(6-2)7-8-22-18-11-17-14(9-15(18)12(3)20)10-16(23-17)13(4)21;/h9-11H,5-8H2,1-4H3;1H.
What are the key properties of 1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride?
1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride is sourced from PubChem (CID 24838037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).