N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide

C21H23NO2 — CID 10969292

IUPACN-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide
SMILESCCc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C21H23NO2/c1-3-16-9-10-20-19(13-16)18(11-12-22-15(2)23)21(24-20)14-17-7-5-4-6-8-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,23)
InChIKeyTXELAJXDVSAMDC-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.26
Rot. Bonds6

About N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide

N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide (PubChem CID 10969292) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide
PubChem CID10969292
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide
SMILESCCc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C21H23NO2/c1-3-16-9-10-20-19(13-16)18(11-12-22-15(2)23)21(24-20)14-17-7-5-4-6-8-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,23)
InChIKeyTXELAJXDVSAMDC-UHFFFAOYSA-N
XLogP4.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

S24014
CID 9998187
N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide
CID 10059864
7,8,9,10-tetrahydro-6H-furo[2,3-i][3]benzazepine
CID 44451369
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468653
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acetamide
CID 9839629
N-[2-(7-{4-[3-(2-acetylaminoethyl)benzofuran-5-yloxy]butoxy}naphthalen-1-yl)ethyl]-acetamide
CID 9870683
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acrylamide
CID 9884156
N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-benzofuran-3-yl]-ethyl}-acetamide
CID 9884406
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanone
CID 9884652
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acetamide
CID 9927219
But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-amide
CID 10925712
But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-amide
CID 10926138

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide (CID 10969292) is N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide is CCc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide?
The InChIKey is TXELAJXDVSAMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-16-9-10-20-19(13-16)18(11-12-22-15(2)23)21(24-20)14-17-7-5-4-6-8-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide?
N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]acetamide is sourced from PubChem (CID 10969292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).