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

C21H22N2O3 — CID 7535641

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC(=O)Nc3c(C)cccc3C)coc2c1
InChIInChI=1S/C21H22N2O3/c1-13-7-8-17-16(12-26-18(17)9-13)10-19(24)22-11-20(25)23-21-14(2)5-4-6-15(21)3/h4-9,12H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBUQQUJPXHDGYIO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.66
Rot. Bonds5

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

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 7535641) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID7535641
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC(=O)Nc3c(C)cccc3C)coc2c1
InChIInChI=1S/C21H22N2O3/c1-13-7-8-17-16(12-26-18(17)9-13)10-19(24)22-11-20(25)23-21-14(2)5-4-6-15(21)3/h4-9,12H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBUQQUJPXHDGYIO-UHFFFAOYSA-N
XLogP3.66
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 7535641) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)NCC(=O)Nc3c(C)cccc3C)coc2c1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is BUQQUJPXHDGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-7-8-17-16(12-26-18(17)9-13)10-19(24)22-11-20(25)23-21-14(2)5-4-6-15(21)3/h4-9,12H,10-11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 7535641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).