N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

C16H21N3O3 — CID 5310388

IUPACN-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2cccc(C)c2C)C(=O)C1=O
InChIInChI=1S/C16H21N3O3/c1-4-18-8-9-19(16(22)15(18)21)10-14(20)17-13-7-5-6-11(2)12(13)3/h5-7H,4,8-10H2,1-3H3,(H,17,20)
InChIKeyHCRVOEGBQPDWNW-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.93
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (PubChem CID 5310388) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
PubChem CID5310388
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2cccc(C)c2C)C(=O)C1=O
InChIInChI=1S/C16H21N3O3/c1-4-18-8-9-19(16(22)15(18)21)10-14(20)17-13-7-5-6-11(2)12(13)3/h5-7H,4,8-10H2,1-3H3,(H,17,20)
InChIKeyHCRVOEGBQPDWNW-UHFFFAOYSA-N
XLogP0.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (CID 5310388) is N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2cccc(C)c2C)C(=O)C1=O.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The InChIKey is HCRVOEGBQPDWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-18-8-9-19(16(22)15(18)21)10-14(20)17-13-7-5-6-11(2)12(13)3/h5-7H,4,8-10H2,1-3H3,(H,17,20).
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 5310388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).