2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide

C18H23NO3 — CID 78767344

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
SMILESCc1ccc2c(CC(=O)NC3CCC(O)CC3)coc2c1C
InChIInChI=1S/C18H23NO3/c1-11-3-8-16-13(10-22-18(16)12(11)2)9-17(21)19-14-4-6-15(20)7-5-14/h3,8,10,14-15,20H,4-7,9H2,1-2H3,(H,19,21)
InChIKeyFBCMUNSYFMBMPM-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.01
Rot. Bonds3

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 78767344) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
PubChem CID78767344
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
SMILESCc1ccc2c(CC(=O)NC3CCC(O)CC3)coc2c1C
InChIInChI=1S/C18H23NO3/c1-11-3-8-16-13(10-22-18(16)12(11)2)9-17(21)19-14-4-6-15(20)7-5-14/h3,8,10,14-15,20H,4-7,9H2,1-2H3,(H,19,21)
InChIKeyFBCMUNSYFMBMPM-UHFFFAOYSA-N
XLogP3.01
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17466272
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120598292
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9403737
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617827
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429617
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 17441796
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557704
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide (CID 78767344) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide is Cc1ccc2c(CC(=O)NC3CCC(O)CC3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is FBCMUNSYFMBMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-11-3-8-16-13(10-22-18(16)12(11)2)9-17(21)19-14-4-6-15(20)7-5-14/h3,8,10,14-15,20H,4-7,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 78767344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).