N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

C21H22N2O3 — CID 26905155

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C21H22N2O3/c1-3-15-6-4-5-7-18(15)23-21(25)12-22-20(24)11-16-13-26-19-10-14(2)8-9-17(16)19/h4-10,13H,3,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDIYDSDTWTBOBIO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 26905155) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID26905155
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C21H22N2O3/c1-3-15-6-4-5-7-18(15)23-21(25)12-22-20(24)11-16-13-26-19-10-14(2)8-9-17(16)19/h4-10,13H,3,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDIYDSDTWTBOBIO-UHFFFAOYSA-N
XLogP3.60
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2600753
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 47439324
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 46636527
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877348
N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119439857
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide
CID 134039170
N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 66107127
N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 17444398

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 26905155) is N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is CCc1ccccc1NC(=O)CNC(=O)Cc1coc2cc(C)ccc12.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is DIYDSDTWTBOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-15-6-4-5-7-18(15)23-21(25)12-22-20(24)11-16-13-26-19-10-14(2)8-9-17(16)19/h4-10,13H,3,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 26905155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).