1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone

C17H21NO2 — CID 107399870

IUPAC1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)c1cc2ccccc2o1)CC1CCC1
InChIInChI=1S/C17H21NO2/c1-2-18(11-13-6-5-7-13)12-15(19)17-10-14-8-3-4-9-16(14)20-17/h3-4,8-10,13H,2,5-7,11-12H2,1H3
InChIKeyQKBTVKGSLAOMEF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.74
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone

1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone (PubChem CID 107399870) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
PubChem CID107399870
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)c1cc2ccccc2o1)CC1CCC1
InChIInChI=1S/C17H21NO2/c1-2-18(11-13-6-5-7-13)12-15(19)17-10-14-8-3-4-9-16(14)20-17/h3-4,8-10,13H,2,5-7,11-12H2,1H3
InChIKeyQKBTVKGSLAOMEF-UHFFFAOYSA-N
XLogP3.74
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186
1-(1-benzofuran-2-yl)-2-cyclobutyloxyethanone
CID 62141411
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190
2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 107399788
1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
CID 64773771
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43797305
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
CID 65063124
1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 63954800

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone (CID 107399870) is 1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone is CCN(CC(=O)c1cc2ccccc2o1)CC1CCC1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone?
The InChIKey is QKBTVKGSLAOMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-18(11-13-6-5-7-13)12-15(19)17-10-14-8-3-4-9-16(14)20-17/h3-4,8-10,13H,2,5-7,11-12H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone?
1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone has a molecular weight of 271.36 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone is sourced from PubChem (CID 107399870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).