N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide

C15H19NO3 — CID 115186726

IUPACN-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCCc1coc2ccccc12
InChIInChI=1S/C15H19NO3/c1-2-11(9-17)15(18)16-8-7-12-10-19-14-6-4-3-5-13(12)14/h3-6,10-11,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyJXOGUWKEJJHZKA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.11
Rot. Bonds6

About N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide

N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide (PubChem CID 115186726) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide
PubChem CID115186726
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCCc1coc2ccccc12
InChIInChI=1S/C15H19NO3/c1-2-11(9-17)15(18)16-8-7-12-10-19-14-6-4-3-5-13(12)14/h3-6,10-11,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyJXOGUWKEJJHZKA-UHFFFAOYSA-N
XLogP2.11
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
CID 115140987
ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
CID 115142072
4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
CID 115156463
2-(1-benzofuran-3-ylmethylcarbamoyl)butanoic acid
CID 115185994
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide
CID 110872276
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186704
2-(1-benzofuran-3-yl)-N-pentylacetamide
CID 110485830
2-(1-benzofuran-3-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 110463889
1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 75377076
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide (CID 115186726) is N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide is CCC(CO)C(=O)NCCc1coc2ccccc12.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide?
The InChIKey is JXOGUWKEJJHZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-11(9-17)15(18)16-8-7-12-10-19-14-6-4-3-5-13(12)14/h3-6,10-11,17H,2,7-9H2,1H3,(H,16,18).
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide?
N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide has a molecular weight of 261.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 115186726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).