N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide

C14H17NO3 — CID 115163073

IUPACN-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
SMILESCN(Cc1coc2ccccc12)C(=O)CCCO
InChIInChI=1S/C14H17NO3/c1-15(14(17)7-4-8-16)9-11-10-18-13-6-3-2-5-12(11)13/h2-3,5-6,10,16H,4,7-9H2,1H3
InChIKeyZHTHVQKPBPQAEZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.16
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide

N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide (PubChem CID 115163073) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
PubChem CID115163073
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
SMILESCN(Cc1coc2ccccc12)C(=O)CCCO
InChIInChI=1S/C14H17NO3/c1-15(14(17)7-4-8-16)9-11-10-18-13-6-3-2-5-12(11)13/h2-3,5-6,10,16H,4,7-9H2,1H3
InChIKeyZHTHVQKPBPQAEZ-UHFFFAOYSA-N
XLogP2.16
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 115157997
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
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
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide (CID 115163073) is N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide is CN(Cc1coc2ccccc12)C(=O)CCCO.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide?
The InChIKey is ZHTHVQKPBPQAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-15(14(17)7-4-8-16)9-11-10-18-13-6-3-2-5-12(11)13/h2-3,5-6,10,16H,4,7-9H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide?
N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 247.29 g/mol, XLogP of 2.16, 5 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)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 115163073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).