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

C13H15NO3 — CID 115139234

IUPACN-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
SMILESCN(Cc1coc2ccccc12)C(=O)CCO
InChIInChI=1S/C13H15NO3/c1-14(13(16)6-7-15)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3
InChIKeyCRBPNMMTSAJCEA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.77
Rot. Bonds4

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

N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide (PubChem CID 115139234) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
PubChem CID115139234
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
SMILESCN(Cc1coc2ccccc12)C(=O)CCO
InChIInChI=1S/C13H15NO3/c1-14(13(16)6-7-15)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3
InChIKeyCRBPNMMTSAJCEA-UHFFFAOYSA-N
XLogP1.77
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
CID 115163073
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 115157997
4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide
CID 115156426
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017
2-(1-benzofuran-3-yl)-N-methyl-N-phenylacetamide
CID 110856943
2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
CID 115151779
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate
CID 115128507
N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
CID 176732018
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide (CID 115139234) is N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide is CN(Cc1coc2ccccc12)C(=O)CCO.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide?
The InChIKey is CRBPNMMTSAJCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14(13(16)6-7-15)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide?
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115139234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).