N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride

C18H25ClN2O2 — CID 119474919

IUPACN-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCc1cc2occ(CC(=O)NC3CCC(N)CC3)c2cc1C.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-11-7-16-13(10-22-17(16)8-12(11)2)9-18(21)20-15-5-3-14(19)4-6-15;/h7-8,10,14-15H,3-6,9,19H2,1-2H3,(H,20,21);1H
InChIKeyVUZWVNHZPKTPIS-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.40
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride

N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride (PubChem CID 119474919) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
PubChem CID119474919
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCc1cc2occ(CC(=O)NC3CCC(N)CC3)c2cc1C.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-11-7-16-13(10-22-17(16)8-12(11)2)9-18(21)20-15-5-3-14(19)4-6-15;/h7-8,10,14-15H,3-6,9,19H2,1-2H3,(H,20,21);1H
InChIKeyVUZWVNHZPKTPIS-UHFFFAOYSA-N
XLogP3.40
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386294
N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119476883
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 41368529
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95137075
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7756074
N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119405292
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-piperidin-3-ylacetamide
CID 119424316
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251900
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119605884
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride (CID 119474919) is N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride is Cc1cc2occ(CC(=O)NC3CCC(N)CC3)c2cc1C.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The InChIKey is VUZWVNHZPKTPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c1-11-7-16-13(10-22-17(16)8-12(11)2)9-18(21)20-15-5-3-14(19)4-6-15;/h7-8,10,14-15H,3-6,9,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119474919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).