2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide

C21H23NO2 — CID 4877348

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC(C)CCc3ccccc3)coc2c1
InChIInChI=1S/C21H23NO2/c1-15-8-11-19-18(14-24-20(19)12-15)13-21(23)22-16(2)9-10-17-6-4-3-5-7-17/h3-8,11-12,14,16H,9-10,13H2,1-2H3,(H,22,23)
InChIKeyMQUIWDMMXPKDMG-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.42
Rot. Bonds6

About 2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 4877348) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID4877348
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC(C)CCc3ccccc3)coc2c1
InChIInChI=1S/C21H23NO2/c1-15-8-11-19-18(14-24-20(19)12-15)13-21(23)22-16(2)9-10-17-6-4-3-5-7-17/h3-8,11-12,14,16H,9-10,13H2,1-2H3,(H,22,23)
InChIKeyMQUIWDMMXPKDMG-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41194976
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 66107127
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2107129
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
N-(2-chlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2600753
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 52906307
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
2-(6-methyl-1-benzofuran-3-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55978691

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 4877348) is 2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide is Cc1ccc2c(CC(=O)NC(C)CCc3ccccc3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is MQUIWDMMXPKDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-15-8-11-19-18(14-24-20(19)12-15)13-21(23)22-16(2)9-10-17-6-4-3-5-7-17/h3-8,11-12,14,16H,9-10,13H2,1-2H3,(H,22,23).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4877348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).