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

C16H15NO3 — CID 127029516

IUPACN-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide
SMILESCOc1ccc2ccc3occ(CNC(C)=O)c3c2c1
InChIInChI=1S/C16H15NO3/c1-10(18)17-8-12-9-20-15-6-4-11-3-5-13(19-2)7-14(11)16(12)15/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyQPKNKIVHVXHLQH-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.23
Rot. Bonds3

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

N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide (PubChem CID 127029516) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide
PubChem CID127029516
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide
SMILESCOc1ccc2ccc3occ(CNC(C)=O)c3c2c1
InChIInChI=1S/C16H15NO3/c1-10(18)17-8-12-9-20-15-6-4-11-3-5-13(19-2)7-14(11)16(12)15/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyQPKNKIVHVXHLQH-UHFFFAOYSA-N
XLogP3.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide?
The IUPAC name of N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide (CID 127029516) is N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide?
The canonical SMILES for N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide is COc1ccc2ccc3occ(CNC(C)=O)c3c2c1.
What is the InChIKey of N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide?
The InChIKey is QPKNKIVHVXHLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10(18)17-8-12-9-20-15-6-4-11-3-5-13(19-2)7-14(11)16(12)15/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide?
N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide has a molecular weight of 269.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide is sourced from PubChem (CID 127029516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).