N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride

C14H19ClN2O3 — CID 120505622

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCOc1ccc2c(CC(=O)N[C@@H](C)CN)coc2c1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-9(7-15)16-14(17)5-10-8-19-13-6-11(18-2)3-4-12(10)13;/h3-4,6,8-9H,5,7,15H2,1-2H3,(H,16,17);1H/t9-;/m0./s1
InChIKeyBHWCUYAHYGLQQB-FVGYRXGTSA-N
MW298.77 g/mol
LogP1.87
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride (PubChem CID 120505622) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
PubChem CID120505622
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCOc1ccc2c(CC(=O)N[C@@H](C)CN)coc2c1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-9(7-15)16-14(17)5-10-8-19-13-6-11(18-2)3-4-12(10)13;/h3-4,6,8-9H,5,7,15H2,1-2H3,(H,16,17);1H/t9-;/m0./s1
InChIKeyBHWCUYAHYGLQQB-FVGYRXGTSA-N
XLogP1.87
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119607344
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969
N-(2-amino-1-cyclohexylethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 119590691
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119476883
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51150333

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride (CID 120505622) is N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride is COc1ccc2c(CC(=O)N[C@@H](C)CN)coc2c1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
The InChIKey is BHWCUYAHYGLQQB-FVGYRXGTSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c1-9(7-15)16-14(17)5-10-8-19-13-6-11(18-2)3-4-12(10)13;/h3-4,6,8-9H,5,7,15H2,1-2H3,(H,16,17);1H/t9-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120505622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).