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

C22H23NO2 — CID 53237951

IUPACN-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=C(Cc2ccccc2)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C22H23NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h2-8H,9-14H2,1H3,(H,23,24)
InChIKeyVDWZKXTUDKKGJA-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.70
Rot. Bonds5

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

N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide (PubChem CID 53237951) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
PubChem CID53237951
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=C(Cc2ccccc2)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C22H23NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h2-8H,9-14H2,1H3,(H,23,24)
InChIKeyVDWZKXTUDKKGJA-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide (CID 53237951) is N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide is CC(=O)NCCC1=C(Cc2ccccc2)Cc2ccc3c(c21)CCO3.
What is the InChIKey of N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide?
The InChIKey is VDWZKXTUDKKGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h2-8H,9-14H2,1H3,(H,23,24).
What are the key properties of N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide?
N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-benzyl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide is sourced from PubChem (CID 53237951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).