2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

C23H28N4O3 — CID 9221828

IUPAC2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C23H28N4O3/c1-15-9-8-10-16(2)21(15)25-19(28)13-26(5)14-20(29)27-18-12-7-6-11-17(18)24-22(30)23(27,3)4/h6-12H,13-14H2,1-5H3,(H,24,30)(H,25,28)
InChIKeyZDNXFVSQQRGIGD-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.94
Rot. Bonds5

About 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 9221828) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID9221828
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C23H28N4O3/c1-15-9-8-10-16(2)21(15)25-19(28)13-26(5)14-20(29)27-18-12-7-6-11-17(18)24-22(30)23(27,3)4/h6-12H,13-14H2,1-5H3,(H,24,30)(H,25,28)
InChIKeyZDNXFVSQQRGIGD-UHFFFAOYSA-N
XLogP2.94
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 9221828) is 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C1(C)C.
What is the InChIKey of 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is ZDNXFVSQQRGIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-9-8-10-16(2)21(15)25-19(28)13-26(5)14-20(29)27-18-12-7-6-11-17(18)24-22(30)23(27,3)4/h6-12H,13-14H2,1-5H3,(H,24,30)(H,25,28).
What are the key properties of 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 9221828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).