2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide

C22H19NO3 — CID 8921521

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2coc3ccc4ccccc4c23)c1
InChIInChI=1S/C22H19NO3/c1-25-18-7-4-5-15(11-18)13-23-21(24)12-17-14-26-20-10-9-16-6-2-3-8-19(16)22(17)20/h2-11,14H,12-13H2,1H3,(H,23,24)
InChIKeyRNLLUJJHWUWXDW-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.45
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 8921521) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID8921521
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2coc3ccc4ccccc4c23)c1
InChIInChI=1S/C22H19NO3/c1-25-18-7-4-5-15(11-18)13-23-21(24)12-17-14-26-20-10-9-16-6-2-3-8-19(16)22(17)20/h2-11,14H,12-13H2,1H3,(H,23,24)
InChIKeyRNLLUJJHWUWXDW-UHFFFAOYSA-N
XLogP4.45
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 8795869
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide
CID 174143781
N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
CID 4728241
2-benzo[e][1]benzofuran-1-yl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 18110418
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
methyl (2R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylpentanoate
CID 9113240
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide (CID 8921521) is 2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cc2coc3ccc4ccccc4c23)c1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is RNLLUJJHWUWXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-25-18-7-4-5-15(11-18)13-23-21(24)12-17-14-26-20-10-9-16-6-2-3-8-19(16)22(17)20/h2-11,14H,12-13H2,1H3,(H,23,24).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8921521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).