N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C21H27NO2 — CID 2418197

IUPACN-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)NC1CCCCCCC1
InChIInChI=1S/C21H27NO2/c23-21(22-18-9-4-2-1-3-5-10-18)13-17-14-24-20-12-16-8-6-7-15(16)11-19(17)20/h11-12,14,18H,1-10,13H2,(H,22,23)
InChIKeyTVQBDABJTMQKMM-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.69
Rot. Bonds3

About N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 2418197) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
PubChem CID2418197
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)NC1CCCCCCC1
InChIInChI=1S/C21H27NO2/c23-21(22-18-9-4-2-1-3-5-10-18)13-17-14-24-20-12-16-8-6-7-15(16)11-19(17)20/h11-12,14,18H,1-10,13H2,(H,22,23)
InChIKeyTVQBDABJTMQKMM-UHFFFAOYSA-N
XLogP4.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 2418197) is N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is O=C(Cc1coc2cc3c(cc12)CCC3)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The InChIKey is TVQBDABJTMQKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c23-21(22-18-9-4-2-1-3-5-10-18)13-17-14-24-20-12-16-8-6-7-15(16)11-19(17)20/h11-12,14,18H,1-10,13H2,(H,22,23).
What are the key properties of N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 325.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 2418197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).