N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

C23H26N2O3 — CID 18079687

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)Cc2coc3cc(C)c(C)cc23)c1
InChIInChI=1S/C23H26N2O3/c1-14-6-7-15(2)20(8-14)24-22(26)12-25(5)23(27)11-18-13-28-21-10-17(4)16(3)9-19(18)21/h6-10,13H,11-12H2,1-5H3,(H,24,26)
InChIKeyWNVGDNZFTQFWHS-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.31
Rot. Bonds5

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (PubChem CID 18079687) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
PubChem CID18079687
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)Cc2coc3cc(C)c(C)cc23)c1
InChIInChI=1S/C23H26N2O3/c1-14-6-7-15(2)20(8-14)24-22(26)12-25(5)23(27)11-18-13-28-21-10-17(4)16(3)9-19(18)21/h6-10,13H,11-12H2,1-5H3,(H,24,26)
InChIKeyWNVGDNZFTQFWHS-UHFFFAOYSA-N
XLogP4.31
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (CID 18079687) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)Cc2coc3cc(C)c(C)cc23)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The InChIKey is WNVGDNZFTQFWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-14-6-7-15(2)20(8-14)24-22(26)12-25(5)23(27)11-18-13-28-21-10-17(4)16(3)9-19(18)21/h6-10,13H,11-12H2,1-5H3,(H,24,26).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide has a molecular weight of 378.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is sourced from PubChem (CID 18079687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).