N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide

C17H17NO3 — CID 127026423

IUPACN-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide
SMILESCOc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
InChIInChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyYKMQNVAWVSTIDM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.27
Rot. Bonds4

About N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide

N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide (PubChem CID 127026423) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide
PubChem CID127026423
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide
SMILESCOc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
InChIInChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyYKMQNVAWVSTIDM-UHFFFAOYSA-N
XLogP3.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide (CID 127026423) is N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide is COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1.
What is the InChIKey of N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide?
The InChIKey is YKMQNVAWVSTIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide?
N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide is sourced from PubChem (CID 127026423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).