6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one

C17H23NO2 — CID 114736731

IUPAC6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one
SMILESCCC(CCN)CCC(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H23NO2/c1-3-13(9-10-18)7-8-15(19)16-11-14-6-4-5-12(2)17(14)20-16/h4-6,11,13H,3,7-10,18H2,1-2H3
InChIKeyMMTOPUPMCKUNBV-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.08
Rot. Bonds7

About 6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one

6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one (PubChem CID 114736731) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one
PubChem CID114736731
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one
SMILESCCC(CCN)CCC(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H23NO2/c1-3-13(9-10-18)7-8-15(19)16-11-14-6-4-5-12(2)17(14)20-16/h4-6,11,13H,3,7-10,18H2,1-2H3
InChIKeyMMTOPUPMCKUNBV-UHFFFAOYSA-N
XLogP4.08
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-1-(7-chloro-1-benzofuran-2-yl)heptan-1-one
CID 114736821
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
1-(7-ethyl-1-benzofuran-2-yl)butan-1-one
CID 65427841
1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one
CID 65427273
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
4-(2-aminoethyl)-1-(5-chloro-1-benzofuran-2-yl)heptan-1-one
CID 114736824

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one?
The IUPAC name of 6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one (CID 114736731) is 6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one.
What is the SMILES notation for 6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one?
The canonical SMILES for 6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one is CCC(CCN)CCC(=O)c1cc2cccc(C)c2o1.
What is the InChIKey of 6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one?
The InChIKey is MMTOPUPMCKUNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-13(9-10-18)7-8-15(19)16-11-14-6-4-5-12(2)17(14)20-16/h4-6,11,13H,3,7-10,18H2,1-2H3.
What are the key properties of 6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one?
6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one has a molecular weight of 273.38 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one is sourced from PubChem (CID 114736731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).