N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C22H25NO2 — CID 3367131

IUPACN-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c(C)c1
InChIInChI=1S/C22H25NO2/c1-13(2)18-11-19-17(12-25-21(19)9-15(18)4)10-22(24)23-20-7-6-14(3)8-16(20)5/h6-9,11-13H,10H2,1-5H3,(H,23,24)
InChIKeyBDTFJKTVJGYLEG-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.66
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 3367131) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID3367131
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c(C)c1
InChIInChI=1S/C22H25NO2/c1-13(2)18-11-19-17(12-25-21(19)9-15(18)4)10-22(24)23-20-7-6-14(3)8-16(20)5/h6-9,11-13H,10H2,1-5H3,(H,23,24)
InChIKeyBDTFJKTVJGYLEG-UHFFFAOYSA-N
XLogP5.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 24635319
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18268666
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 31303355
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 52762484
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 112761506
N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 39969563
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 3367131) is N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is BDTFJKTVJGYLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-13(2)18-11-19-17(12-25-21(19)9-15(18)4)10-22(24)23-20-7-6-14(3)8-16(20)5/h6-9,11-13H,10H2,1-5H3,(H,23,24).
What are the key properties of N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 3367131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).