N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide

C11H19N3O3 — CID 66073544

IUPACN-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide
SMILESCC1NCC(=O)N(CC(=O)N(C)C(C)C)C1=O
InChIInChI=1S/C11H19N3O3/c1-7(2)13(4)10(16)6-14-9(15)5-12-8(3)11(14)17/h7-8,12H,5-6H2,1-4H3
InChIKeyJBEZYSBIOOSVHE-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.80
Rot. Bonds3

About N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide

N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide (PubChem CID 66073544) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide
PubChem CID66073544
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide
SMILESCC1NCC(=O)N(CC(=O)N(C)C(C)C)C1=O
InChIInChI=1S/C11H19N3O3/c1-7(2)13(4)10(16)6-14-9(15)5-12-8(3)11(14)17/h7-8,12H,5-6H2,1-4H3
InChIKeyJBEZYSBIOOSVHE-UHFFFAOYSA-N
XLogP-0.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide (CID 66073544) is N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide is CC1NCC(=O)N(CC(=O)N(C)C(C)C)C1=O.
What is the InChIKey of N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is JBEZYSBIOOSVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)13(4)10(16)6-14-9(15)5-12-8(3)11(14)17/h7-8,12H,5-6H2,1-4H3.
What are the key properties of N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide?
N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 241.29 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 66073544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).