2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide

C23H27N3O3 — CID 167997659

IUPAC2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCN(c2cc(C)cc(C)c2)C(=O)C1=O
InChIInChI=1S/C23H27N3O3/c1-5-18-8-6-7-17(4)21(18)24-20(27)14-25-9-10-26(23(29)22(25)28)19-12-15(2)11-16(3)13-19/h6-8,11-13H,5,9-10,14H2,1-4H3,(H,24,27)
InChIKeyLILKAEBVRWAKSU-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.99
Rot. Bonds5

About 2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide

2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 167997659) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID167997659
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCN(c2cc(C)cc(C)c2)C(=O)C1=O
InChIInChI=1S/C23H27N3O3/c1-5-18-8-6-7-17(4)21(18)24-20(27)14-25-9-10-26(23(29)22(25)28)19-12-15(2)11-16(3)13-19/h6-8,11-13H,5,9-10,14H2,1-4H3,(H,24,27)
InChIKeyLILKAEBVRWAKSU-UHFFFAOYSA-N
XLogP2.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975795
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
2-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 769435
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2655732
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7738311
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 22520325
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
CID 119928048
3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 17034730
1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323747
2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 100845464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 167997659) is 2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN1CCN(c2cc(C)cc(C)c2)C(=O)C1=O.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is LILKAEBVRWAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-18-8-6-7-17(4)21(18)24-20(27)14-25-9-10-26(23(29)22(25)28)19-12-15(2)11-16(3)13-19/h6-8,11-13H,5,9-10,14H2,1-4H3,(H,24,27).
What are the key properties of 2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 167997659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).