3-(1-benzofuran-3-ylmethylamino)butanamide

C13H16N2O2 — CID 115677058

IUPAC3-(1-benzofuran-3-ylmethylamino)butanamide
SMILESCC(CC(N)=O)NCc1coc2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(6-13(14)16)15-7-10-8-17-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7H2,1H3,(H2,14,16)
InChIKeyNVECYUMHCYRYQX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.79
Rot. Bonds5

About 3-(1-benzofuran-3-ylmethylamino)butanamide

3-(1-benzofuran-3-ylmethylamino)butanamide (PubChem CID 115677058) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(1-benzofuran-3-ylmethylamino)butanamide.

Molecular Properties

Compound Name3-(1-benzofuran-3-ylmethylamino)butanamide
PubChem CID115677058
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(1-benzofuran-3-ylmethylamino)butanamide
SMILESCC(CC(N)=O)NCc1coc2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(6-13(14)16)15-7-10-8-17-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7H2,1H3,(H2,14,16)
InChIKeyNVECYUMHCYRYQX-UHFFFAOYSA-N
XLogP1.79
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzofuran-3-ylmethylamino)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

methyl (2S,3S)-2-(1-benzofuran-3-ylmethylamino)-3-hydroxybutanoate
CID 99834994
methyl (2R,3S)-2-(1-benzofuran-3-ylmethylamino)-3-hydroxybutanoate
CID 99834996
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
CID 115750447
N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134
N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
CID 80700430

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-ylmethylamino)butanamide?
The IUPAC name of 3-(1-benzofuran-3-ylmethylamino)butanamide (CID 115677058) is 3-(1-benzofuran-3-ylmethylamino)butanamide.
What is the SMILES notation for 3-(1-benzofuran-3-ylmethylamino)butanamide?
The canonical SMILES for 3-(1-benzofuran-3-ylmethylamino)butanamide is CC(CC(N)=O)NCc1coc2ccccc12.
What is the InChIKey of 3-(1-benzofuran-3-ylmethylamino)butanamide?
The InChIKey is NVECYUMHCYRYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(6-13(14)16)15-7-10-8-17-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7H2,1H3,(H2,14,16).
What are the key properties of 3-(1-benzofuran-3-ylmethylamino)butanamide?
3-(1-benzofuran-3-ylmethylamino)butanamide has a molecular weight of 232.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-ylmethylamino)butanamide is sourced from PubChem (CID 115677058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).