N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide

C22H23NO3 — CID 50742212

IUPACN-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide
SMILESCCC(=O)Nc1c(C(=O)Cc2c(C)cc(C)cc2C)oc2ccccc12
InChIInChI=1S/C22H23NO3/c1-5-20(25)23-21-16-8-6-7-9-19(16)26-22(21)18(24)12-17-14(3)10-13(2)11-15(17)4/h6-11H,5,12H2,1-4H3,(H,23,25)
InChIKeyFJECYVOHZFCFDY-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.13
Rot. Bonds5

About N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide

N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide (PubChem CID 50742212) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide
PubChem CID50742212
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide
SMILESCCC(=O)Nc1c(C(=O)Cc2c(C)cc(C)cc2C)oc2ccccc12
InChIInChI=1S/C22H23NO3/c1-5-20(25)23-21-16-8-6-7-9-19(16)26-22(21)18(24)12-17-14(3)10-13(2)11-15(17)4/h6-11H,5,12H2,1-4H3,(H,23,25)
InChIKeyFJECYVOHZFCFDY-UHFFFAOYSA-N
XLogP5.13
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 26072070
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 16519960
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
CID 20926316
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 18861651
3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861686
3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 43980597
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 40952834
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide?
The IUPAC name of N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide (CID 50742212) is N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide.
What is the SMILES notation for N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide?
The canonical SMILES for N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide is CCC(=O)Nc1c(C(=O)Cc2c(C)cc(C)cc2C)oc2ccccc12.
What is the InChIKey of N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide?
The InChIKey is FJECYVOHZFCFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-5-20(25)23-21-16-8-6-7-9-19(16)26-22(21)18(24)12-17-14(3)10-13(2)11-15(17)4/h6-11H,5,12H2,1-4H3,(H,23,25).
What are the key properties of N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide?
N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide is sourced from PubChem (CID 50742212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).