N-(2-benzofuran-4-yloxy)-2-methylpropanamide

C12H13NO3 — CID 121011585

IUPACN-(2-benzofuran-4-yloxy)-2-methylpropanamide
SMILESCC(C)C(=O)NOc1cccc2cocc12
InChIInChI=1S/C12H13NO3/c1-8(2)12(14)13-16-11-5-3-4-9-6-15-7-10(9)11/h3-8H,1-2H3,(H,13,14)
InChIKeyHLDCOBXAEURNIK-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.50
Rot. Bonds3

About N-(2-benzofuran-4-yloxy)-2-methylpropanamide

N-(2-benzofuran-4-yloxy)-2-methylpropanamide (PubChem CID 121011585) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-benzofuran-4-yloxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-benzofuran-4-yloxy)-2-methylpropanamide
PubChem CID121011585
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-(2-benzofuran-4-yloxy)-2-methylpropanamide
SMILESCC(C)C(=O)NOc1cccc2cocc12
InChIInChI=1S/C12H13NO3/c1-8(2)12(14)13-16-11-5-3-4-9-6-15-7-10(9)11/h3-8H,1-2H3,(H,13,14)
InChIKeyHLDCOBXAEURNIK-UHFFFAOYSA-N
XLogP2.50
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-benzofuran-4-yloxy)-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-benzofuran-4-yloxy)-2-methylpropanamide?
The IUPAC name of N-(2-benzofuran-4-yloxy)-2-methylpropanamide (CID 121011585) is N-(2-benzofuran-4-yloxy)-2-methylpropanamide.
What is the SMILES notation for N-(2-benzofuran-4-yloxy)-2-methylpropanamide?
The canonical SMILES for N-(2-benzofuran-4-yloxy)-2-methylpropanamide is CC(C)C(=O)NOc1cccc2cocc12.
What is the InChIKey of N-(2-benzofuran-4-yloxy)-2-methylpropanamide?
The InChIKey is HLDCOBXAEURNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(2)12(14)13-16-11-5-3-4-9-6-15-7-10(9)11/h3-8H,1-2H3,(H,13,14).
What are the key properties of N-(2-benzofuran-4-yloxy)-2-methylpropanamide?
N-(2-benzofuran-4-yloxy)-2-methylpropanamide has a molecular weight of 219.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzofuran-4-yloxy)-2-methylpropanamide is sourced from PubChem (CID 121011585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).