[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone

C18H23NO2 — CID 114725657

IUPAC[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1cccc2cc(C(=O)C3(N(C)C)CCCCC3)oc12
InChIInChI=1S/C18H23NO2/c1-13-8-7-9-14-12-15(21-16(13)14)17(20)18(19(2)3)10-5-4-6-11-18/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyQRACHJSITDMGOT-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.19
Rot. Bonds3

About [1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone

[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone (PubChem CID 114725657) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone
PubChem CID114725657
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1cccc2cc(C(=O)C3(N(C)C)CCCCC3)oc12
InChIInChI=1S/C18H23NO2/c1-13-8-7-9-14-12-15(21-16(13)14)17(20)18(19(2)3)10-5-4-6-11-18/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyQRACHJSITDMGOT-UHFFFAOYSA-N
XLogP4.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114725645
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196
(2-amino-1-methylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114737310
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114737417
2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115808386
2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 119217742
2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119200468
[1-(dimethylamino)cyclopentyl]-(furan-2-yl)methanone
CID 79067370

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone (CID 114725657) is [1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone is Cc1cccc2cc(C(=O)C3(N(C)C)CCCCC3)oc12.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is QRACHJSITDMGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-8-7-9-14-12-15(21-16(13)14)17(20)18(19(2)3)10-5-4-6-11-18/h7-9,12H,4-6,10-11H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone?
[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114725657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).