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

C22H23NO3 — CID 53238407

IUPACN-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
SMILESCOc1cccc(C2=C(CCNC(C)=O)c3c(ccc4c3CCO4)C2)c1
InChIInChI=1S/C22H23NO3/c1-14(24)23-10-8-18-20(15-4-3-5-17(12-15)25-2)13-16-6-7-21-19(22(16)18)9-11-26-21/h3-7,12H,8-11,13H2,1-2H3,(H,23,24)
InChIKeyQJYZZZMBUAEWOY-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.62
Rot. Bonds5

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

N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide (PubChem CID 53238407) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
PubChem CID53238407
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
SMILESCOc1cccc(C2=C(CCNC(C)=O)c3c(ccc4c3CCO4)C2)c1
InChIInChI=1S/C22H23NO3/c1-14(24)23-10-8-18-20(15-4-3-5-17(12-15)25-2)13-16-6-7-21-19(22(16)18)9-11-26-21/h3-7,12H,8-11,13H2,1-2H3,(H,23,24)
InChIKeyQJYZZZMBUAEWOY-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide (CID 53238407) is N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide is COc1cccc(C2=C(CCNC(C)=O)c3c(ccc4c3CCO4)C2)c1.
What is the InChIKey of N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The InChIKey is QJYZZZMBUAEWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-14(24)23-10-8-18-20(15-4-3-5-17(12-15)25-2)13-16-6-7-21-19(22(16)18)9-11-26-21/h3-7,12H,8-11,13H2,1-2H3,(H,23,24).
What are the key properties of N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide is sourced from PubChem (CID 53238407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).