2-(1-benzofuran-3-yl)-N-pentylacetamide

C15H19NO2 — CID 110485830

IUPAC2-(1-benzofuran-3-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1coc2ccccc12
InChIInChI=1S/C15H19NO2/c1-2-3-6-9-16-15(17)10-12-11-18-14-8-5-4-7-13(12)14/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,16,17)
InChIKeyOMNIFMJOMOEWQD-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.28
Rot. Bonds6

About 2-(1-benzofuran-3-yl)-N-pentylacetamide

2-(1-benzofuran-3-yl)-N-pentylacetamide (PubChem CID 110485830) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N-pentylacetamide
PubChem CID110485830
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(1-benzofuran-3-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1coc2ccccc12
InChIInChI=1S/C15H19NO2/c1-2-3-6-9-16-15(17)10-12-11-18-14-8-5-4-7-13(12)14/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,16,17)
InChIKeyOMNIFMJOMOEWQD-UHFFFAOYSA-N
XLogP3.28
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1-benzofuran-3-yl)-N-pentylacetamide 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-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide
CID 18360692
2-(1-benzofuran-3-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 110463889
2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 110466008
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
S-ethyl 2-(1-benzofuran-3-yl)ethanethioate
CID 91620594
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
2-(2-bromophenyl)-N-pentylacetamide
CID 113098374
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 110485842
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N-pentylacetamide?
The IUPAC name of 2-(1-benzofuran-3-yl)-N-pentylacetamide (CID 110485830) is 2-(1-benzofuran-3-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N-pentylacetamide?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N-pentylacetamide is CCCCCNC(=O)Cc1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N-pentylacetamide?
The InChIKey is OMNIFMJOMOEWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-3-6-9-16-15(17)10-12-11-18-14-8-5-4-7-13(12)14/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,16,17).
What are the key properties of 2-(1-benzofuran-3-yl)-N-pentylacetamide?
2-(1-benzofuran-3-yl)-N-pentylacetamide has a molecular weight of 245.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N-pentylacetamide is sourced from PubChem (CID 110485830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).