2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide

C22H19NO2 — CID 18860488

IUPAC2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
SMILESCCc1ccc2occ(CC(=O)Nc3ccc4ccccc4c3)c2c1
InChIInChI=1S/C22H19NO2/c1-2-15-7-10-21-20(11-15)18(14-25-21)13-22(24)23-19-9-8-16-5-3-4-6-17(16)12-19/h3-12,14H,2,13H2,1H3,(H,23,24)
InChIKeyCSVXSOYHSIHOSS-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.33
Rot. Bonds4

About 2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide

2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide (PubChem CID 18860488) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
PubChem CID18860488
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
SMILESCCc1ccc2occ(CC(=O)Nc3ccc4ccccc4c3)c2c1
InChIInChI=1S/C22H19NO2/c1-2-15-7-10-21-20(11-15)18(14-25-21)13-22(24)23-19-9-8-16-5-3-4-6-17(16)12-19/h3-12,14H,2,13H2,1H3,(H,23,24)
InChIKeyCSVXSOYHSIHOSS-UHFFFAOYSA-N
XLogP5.33
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide (CID 18860488) is 2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide is CCc1ccc2occ(CC(=O)Nc3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide?
The InChIKey is CSVXSOYHSIHOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-2-15-7-10-21-20(11-15)18(14-25-21)13-22(24)23-19-9-8-16-5-3-4-6-17(16)12-19/h3-12,14H,2,13H2,1H3,(H,23,24).
What are the key properties of 2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide?
2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide has a molecular weight of 329.40 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 18860488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).