N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

C21H23NO3 — CID 23861838

IUPACN-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2coc3c(C)c(C)cc(C)c23)cc1
InChIInChI=1S/C21H23NO3/c1-5-24-18-8-6-17(7-9-18)22-19(23)11-16-12-25-21-15(4)13(2)10-14(3)20(16)21/h6-10,12H,5,11H2,1-4H3,(H,22,23)
InChIKeyXYNTYOSIGVOFQO-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.94
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 23861838) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
PubChem CID23861838
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2coc3c(C)c(C)cc(C)c23)cc1
InChIInChI=1S/C21H23NO3/c1-5-24-18-8-6-17(7-9-18)22-19(23)11-16-12-25-21-15(4)13(2)10-14(3)20(16)21/h6-10,12H,5,11H2,1-4H3,(H,22,23)
InChIKeyXYNTYOSIGVOFQO-UHFFFAOYSA-N
XLogP4.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7252001
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
2-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)acetamide
CID 9400826
(2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 95197275
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
2-[2-(aminomethyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 81312144
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32942559
N-(4-ethoxyphenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878488
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
N-[4-(4-ethoxyphenoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60615952

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (CID 23861838) is N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is CCOc1ccc(NC(=O)Cc2coc3c(C)c(C)cc(C)c23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is XYNTYOSIGVOFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-5-24-18-8-6-17(7-9-18)22-19(23)11-16-12-25-21-15(4)13(2)10-14(3)20(16)21/h6-10,12H,5,11H2,1-4H3,(H,22,23).
What are the key properties of N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 23861838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).