2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide

C13H16N2O3 — CID 115180017

IUPAC2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
SMILESCN(Cc1coc2ccccc12)C(=O)C(N)CO
InChIInChI=1S/C13H16N2O3/c1-15(13(17)11(14)7-16)6-9-8-18-12-5-3-2-4-10(9)12/h2-5,8,11,16H,6-7,14H2,1H3
InChIKeyHCAKRVGEWOYKTK-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.71
Rot. Bonds4

About 2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide

2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide (PubChem CID 115180017) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
PubChem CID115180017
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
SMILESCN(Cc1coc2ccccc12)C(=O)C(N)CO
InChIInChI=1S/C13H16N2O3/c1-15(13(17)11(14)7-16)6-9-8-18-12-5-3-2-4-10(9)12/h2-5,8,11,16H,6-7,14H2,1H3
InChIKeyHCAKRVGEWOYKTK-UHFFFAOYSA-N
XLogP0.71
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
CID 116849154
N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
CID 115163073
4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide
CID 115156426
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 115157997
2-amino-3-(1-benzofuran-3-yl)propanamide
CID 116850913
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252165
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol
CID 115120994
2-amino-6-(1-benzofuran-3-yl)hexanoic acid
CID 112518542
2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
CID 115151779

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of 2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide (CID 115180017) is 2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide is CN(Cc1coc2ccccc12)C(=O)C(N)CO.
What is the InChIKey of 2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide?
The InChIKey is HCAKRVGEWOYKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(13(17)11(14)7-16)6-9-8-18-12-5-3-2-4-10(9)12/h2-5,8,11,16H,6-7,14H2,1H3.
What are the key properties of 2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide?
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide has a molecular weight of 248.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115180017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).