N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

C21H22N2O3 — CID 46550765

IUPACN-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1C
InChIInChI=1S/C21H22N2O3/c1-12-8-18-16(11-26-20(18)9-13(12)2)10-21(25)23-17-5-6-19(14(3)7-17)22-15(4)24/h5-9,11H,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyAGSOBSCAKWFLNW-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.50
Rot. Bonds4

About N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 46550765) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID46550765
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1C
InChIInChI=1S/C21H22N2O3/c1-12-8-18-16(11-26-20(18)9-13(12)2)10-21(25)23-17-5-6-19(14(3)7-17)22-15(4)24/h5-9,11H,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyAGSOBSCAKWFLNW-UHFFFAOYSA-N
XLogP4.50
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 38107740
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18284203
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 110485842
2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 18860311
N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 26364046
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78890275

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 46550765) is N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is AGSOBSCAKWFLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-12-8-18-16(11-26-20(18)9-13(12)2)10-21(25)23-17-5-6-19(14(3)7-17)22-15(4)24/h5-9,11H,10H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 46550765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).