N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide

C13H15NO3 — CID 10059864

IUPACN-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide
SMILESCOc1ccc2occ(CCNC(C)=O)c2c1
InChIInChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyBTVRPXLAXZPZPV-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide

N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide (PubChem CID 10059864) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide
PubChem CID10059864
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide
SMILESCOc1ccc2occ(CCNC(C)=O)c2c1
InChIInChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyBTVRPXLAXZPZPV-UHFFFAOYSA-N
XLogP2.12
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide (CID 10059864) is N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide is COc1ccc2occ(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide?
The InChIKey is BTVRPXLAXZPZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide?
N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide is sourced from PubChem (CID 10059864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).