N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride

C17H23ClN2O3 — CID 119476883

IUPACN-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCOc1ccc2c(CC(=O)NC3CCC(N)CC3)coc2c1.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-21-14-6-7-15-11(10-22-16(15)9-14)8-17(20)19-13-4-2-12(18)3-5-13;/h6-7,9-10,12-13H,2-5,8,18H2,1H3,(H,19,20);1H
InChIKeyHKDCJQIMDHBBOD-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.79
Rot. Bonds4

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

N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride (PubChem CID 119476883) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
PubChem CID119476883
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCOc1ccc2c(CC(=O)NC3CCC(N)CC3)coc2c1.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-21-14-6-7-15-11(10-22-16(15)9-14)8-17(20)19-13-4-2-12(18)3-5-13;/h6-7,9-10,12-13H,2-5,8,18H2,1H3,(H,19,20);1H
InChIKeyHKDCJQIMDHBBOD-UHFFFAOYSA-N
XLogP2.79
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196
cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677153
2-(6-methoxy-1-benzofuran-3-yl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452018
2-(6-methoxy-1-benzofuran-3-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809882
N-(4-aminocyclohexyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119474919
N-(2-amino-1-cyclohexylethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 119590691
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901965
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 119411464
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride (CID 119476883) is N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride is COc1ccc2c(CC(=O)NC3CCC(N)CC3)coc2c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
The InChIKey is HKDCJQIMDHBBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3.ClH/c1-21-14-6-7-15-11(10-22-16(15)9-14)8-17(20)19-13-4-2-12(18)3-5-13;/h6-7,9-10,12-13H,2-5,8,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119476883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).