N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide

C14H15NO3 — CID 115176895

IUPACN-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1coc2ccccc12
InChIInChI=1S/C14H15NO3/c1-10(16)6-7-14(17)15-8-11-9-18-13-5-3-2-4-12(11)13/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyUFEAAFQQJJTZPA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.42
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide

N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide (PubChem CID 115176895) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
PubChem CID115176895
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1coc2ccccc12
InChIInChI=1S/C14H15NO3/c1-10(16)6-7-14(17)15-8-11-9-18-13-5-3-2-4-12(11)13/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyUFEAAFQQJJTZPA-UHFFFAOYSA-N
XLogP2.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide 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-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 110466008
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
2-(1-benzofuran-3-ylmethylcarbamoyl)butanoic acid
CID 115185994
2-(1-benzofuran-3-yl)-N-pentylacetamide
CID 110485830
methyl 2-(1-benzofuran-3-ylmethylamino)-2-methylpropanoate
CID 80700686
1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 75377076
N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183042
2-(1-benzofuran-3-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 110463889
4-(1-benzofuran-3-yl)butanehydrazide
CID 116843663

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide (CID 115176895) is N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide is CC(=O)CCC(=O)NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide?
The InChIKey is UFEAAFQQJJTZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(16)6-7-14(17)15-8-11-9-18-13-5-3-2-4-12(11)13/h2-5,9H,6-8H2,1H3,(H,15,17).
What are the key properties of N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide?
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide has a molecular weight of 245.28 g/mol, XLogP of 2.42, 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-oxopentanamide is sourced from PubChem (CID 115176895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).