N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

C20H19NO3 — CID 7770634

IUPACN-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(C)cc23)c1
InChIInChI=1S/C20H19NO3/c1-12-7-18-16(11-24-19(18)8-13(12)2)10-20(23)21-17-6-4-5-15(9-17)14(3)22/h4-9,11H,10H2,1-3H3,(H,21,23)
InChIKeyMVMLKIZFSSGHRH-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.43
Rot. Bonds4

About N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 7770634) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID7770634
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(C)cc23)c1
InChIInChI=1S/C20H19NO3/c1-12-7-18-16(11-24-19(18)8-13(12)2)10-20(23)21-17-6-4-5-15(9-17)14(3)22/h4-9,11H,10H2,1-3H3,(H,21,23)
InChIKeyMVMLKIZFSSGHRH-UHFFFAOYSA-N
XLogP4.43
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 2990500
N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 46550765
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 38107740
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18284203
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
CID 18872044
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 7770634) is N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is CC(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(C)cc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is MVMLKIZFSSGHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-12-7-18-16(11-24-19(18)8-13(12)2)10-20(23)21-17-6-4-5-15(9-17)14(3)22/h4-9,11H,10H2,1-3H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 7770634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).