2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C21H21NO2 — CID 5196328

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC3CCCc4ccccc43)coc2c1
InChIInChI=1S/C21H21NO2/c1-14-9-10-18-16(13-24-20(18)11-14)12-21(23)22-19-8-4-6-15-5-2-3-7-17(15)19/h2-3,5,7,9-11,13,19H,4,6,8,12H2,1H3,(H,22,23)
InChIKeyDMDBLUSZKQTXAP-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.48
Rot. Bonds3

About 2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 5196328) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID5196328
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC3CCCc4ccccc43)coc2c1
InChIInChI=1S/C21H21NO2/c1-14-9-10-18-16(13-24-20(18)11-14)12-21(23)22-19-8-4-6-15-5-2-3-7-17(15)19/h2-3,5,7,9-11,13,19H,4,6,8,12H2,1H3,(H,22,23)
InChIKeyDMDBLUSZKQTXAP-UHFFFAOYSA-N
XLogP4.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 5196328) is 2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cc1ccc2c(CC(=O)NC3CCCc4ccccc43)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is DMDBLUSZKQTXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14-9-10-18-16(13-24-20(18)11-14)12-21(23)22-19-8-4-6-15-5-2-3-7-17(15)19/h2-3,5,7,9-11,13,19H,4,6,8,12H2,1H3,(H,22,23).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 319.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 5196328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).