1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one

C19H25NO4 — CID 58192957

IUPAC1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(=O)c1cc2cc(C(=O)C(C)(C)C)oc2cc1OCCN(C)C
InChIInChI=1S/C19H25NO4/c1-12(21)14-9-13-10-17(18(22)19(2,3)4)24-15(13)11-16(14)23-8-7-20(5)6/h9-11H,7-8H2,1-6H3
InChIKeyHEYCTQNLWGXVDW-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.80
Rot. Bonds6

About 1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one

1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 58192957) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one
PubChem CID58192957
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(=O)c1cc2cc(C(=O)C(C)(C)C)oc2cc1OCCN(C)C
InChIInChI=1S/C19H25NO4/c1-12(21)14-9-13-10-17(18(22)19(2,3)4)24-15(13)11-16(14)23-8-7-20(5)6/h9-11H,7-8H2,1-6H3
InChIKeyHEYCTQNLWGXVDW-UHFFFAOYSA-N
XLogP3.80
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one
CID 58192923
1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride
CID 24838037
1-[6-[2-(dimethylamino)ethoxy]-1,3-benzoxathiol-5-yl]ethanone
CID 66871409
6-acetyl-7-propoxychromen-2-one
CID 52940758
bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13455063
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate
CID 71577026
ethyl 7-bromo-3-[2-(dimethylamino)ethoxy]naphthalene-2-carboxylate
CID 18476177
6-acetyl-7-[2-[di(propan-2-yl)amino]ethoxy]-4-methylchromen-2-one;hydrochloride
CID 53304679
5-[2-(dimethylamino)ethoxy]-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 87641545
1-[4-[4-(dimethylamino)butoxy]-2-hydroxy-5-prop-2-enylphenyl]ethanone;hydrochloride
CID 14820084
2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl chloride
CID 39260609

Frequently Asked Questions

What is the IUPAC name of 1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one (CID 58192957) is 1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one is CC(=O)c1cc2cc(C(=O)C(C)(C)C)oc2cc1OCCN(C)C.
What is the InChIKey of 1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is HEYCTQNLWGXVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-12(21)14-9-13-10-17(18(22)19(2,3)4)24-15(13)11-16(14)23-8-7-20(5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one?
1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 331.41 g/mol, XLogP of 3.80, 6 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-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58192957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).