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

C21H23NO2 — CID 18871935

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1coc2cc(C)cc(C)c12)c1cccc(C)c1
InChIInChI=1S/C21H23NO2/c1-5-22(18-8-6-7-14(2)10-18)20(23)12-17-13-24-19-11-15(3)9-16(4)21(17)19/h6-11,13H,5,12H2,1-4H3
InChIKeyARXPPUFVCYDLQD-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.95
Rot. Bonds4

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

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 18871935) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID18871935
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1coc2cc(C)cc(C)c12)c1cccc(C)c1
InChIInChI=1S/C21H23NO2/c1-5-22(18-8-6-7-14(2)10-18)20(23)12-17-13-24-19-11-15(3)9-16(4)21(17)19/h6-11,13H,5,12H2,1-4H3
InChIKeyARXPPUFVCYDLQD-UHFFFAOYSA-N
XLogP4.95
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113002201
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 110680211
N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110428661
N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154382
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725
N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
CID 63230005
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
CID 113002186

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide (CID 18871935) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)Cc1coc2cc(C)cc(C)c12)c1cccc(C)c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is ARXPPUFVCYDLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-5-22(18-8-6-7-14(2)10-18)20(23)12-17-13-24-19-11-15(3)9-16(4)21(17)19/h6-11,13H,5,12H2,1-4H3.
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide?
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 18871935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).