N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide

C16H15NO2 — CID 70294413

IUPACN-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide
SMILESCC(=O)NCCc1cc2ccccc2c2ccoc12
InChIInChI=1S/C16H15NO2/c1-11(18)17-8-6-13-10-12-4-2-3-5-14(12)15-7-9-19-16(13)15/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)
InChIKeyCXSCUCIWUBEZEM-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.26
Rot. Bonds3

About N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide

N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide (PubChem CID 70294413) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide
PubChem CID70294413
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide
SMILESCC(=O)NCCc1cc2ccccc2c2ccoc12
InChIInChI=1S/C16H15NO2/c1-11(18)17-8-6-13-10-12-4-2-3-5-14(12)15-7-9-19-16(13)15/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)
InChIKeyCXSCUCIWUBEZEM-UHFFFAOYSA-N
XLogP3.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl benzo[e][1]benzofuran-4-carboxylate
CID 139258571
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-[4-(hydroxymethyl)naphthalen-2-yl]ethyl]acetamide;methyl 3-(2-acetamidoethyl)naphthalene-1-carboxylate
CID 158492469
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide
CID 102296524
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
benzo[g][1]benzofuran-4-ylboronic acid
CID 171854414
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide
CID 140972151
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284

Frequently Asked Questions

What is the IUPAC name of N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide?
The IUPAC name of N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide (CID 70294413) is N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide.
What is the SMILES notation for N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide?
The canonical SMILES for N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide is CC(=O)NCCc1cc2ccccc2c2ccoc12.
What is the InChIKey of N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide?
The InChIKey is CXSCUCIWUBEZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11(18)17-8-6-13-10-12-4-2-3-5-14(12)15-7-9-19-16(13)15/h2-5,7,9-10H,6,8H2,1H3,(H,17,18).
What are the key properties of N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide?
N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide has a molecular weight of 253.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide is sourced from PubChem (CID 70294413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).