(6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C20H25NO2 — CID 84577181

IUPAC(6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)oc2c1
InChIInChI=1S/C20H25NO2/c1-13-5-6-14-8-17(23-16(14)7-13)18(22)21-12-20(4)10-15(21)9-19(2,3)11-20/h5-8,15H,9-12H2,1-4H3
InChIKeySAIZPAXGRZDYMI-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.78
Rot. Bonds1

About (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

(6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 84577181) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name(6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID84577181
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)oc2c1
InChIInChI=1S/C20H25NO2/c1-13-5-6-14-8-17(23-16(14)7-13)18(22)21-12-20(4)10-15(21)9-19(2,3)11-20/h5-8,15H,9-12H2,1-4H3
InChIKeySAIZPAXGRZDYMI-UHFFFAOYSA-N
XLogP4.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone with MolForge

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Related Compounds

(3-methylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 2928751
furan-2-yl-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 962580
[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone
CID 112531904
(3-bromo-5-methylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 104852382
(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 74238967
(3,5-dibromophenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 107980322
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 42749740
1H-indol-5-yl-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98131698
(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
CID 84575451
(2-methoxyphenyl)-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 751628
[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-oxochromene-3-carboxylate
CID 98285168
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 11428193

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 84577181) is (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is Cc1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)oc2c1.
What is the InChIKey of (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is SAIZPAXGRZDYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-5-6-14-8-17(23-16(14)7-13)18(22)21-12-20(4)10-15(21)9-19(2,3)11-20/h5-8,15H,9-12H2,1-4H3.
What are the key properties of (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
(6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 84577181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).