N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide

C20H20N2O2 — CID 53238185

IUPACN-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=C(c2cccnc2)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C20H20N2O2/c1-13(23)22-9-6-16-18(15-3-2-8-21-12-15)11-14-4-5-19-17(20(14)16)7-10-24-19/h2-5,8,12H,6-7,9-11H2,1H3,(H,22,23)
InChIKeyQYFZRIVETVFWFY-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.01
Rot. Bonds4

About N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide

N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide (PubChem CID 53238185) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
PubChem CID53238185
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=C(c2cccnc2)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C20H20N2O2/c1-13(23)22-9-6-16-18(15-3-2-8-21-12-15)11-14-4-5-19-17(20(14)16)7-10-24-19/h2-5,8,12H,6-7,9-11H2,1H3,(H,22,23)
InChIKeyQYFZRIVETVFWFY-UHFFFAOYSA-N
XLogP3.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide (CID 53238185) is N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide is CC(=O)NCCC1=C(c2cccnc2)Cc2ccc3c(c21)CCO3.
What is the InChIKey of N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide?
The InChIKey is QYFZRIVETVFWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13(23)22-9-6-16-18(15-3-2-8-21-12-15)11-14-4-5-19-17(20(14)16)7-10-24-19/h2-5,8,12H,6-7,9-11H2,1H3,(H,22,23).
What are the key properties of N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide?
N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide is sourced from PubChem (CID 53238185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).