2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide

C12H21N3O3 — CID 118201010

IUPAC2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)CN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C12H21N3O3/c1-8(2)9-6-11(17)15(12(9)18)7-10(16)14-5-4-13-3/h8-9,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyVDDDBULNPTYKOI-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.65
Rot. Bonds6

About 2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide

2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide (PubChem CID 118201010) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide
PubChem CID118201010
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)CN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C12H21N3O3/c1-8(2)9-6-11(17)15(12(9)18)7-10(16)14-5-4-13-3/h8-9,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyVDDDBULNPTYKOI-UHFFFAOYSA-N
XLogP-0.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide (CID 118201010) is 2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide is CNCCNC(=O)CN1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of 2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is VDDDBULNPTYKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)9-6-11(17)15(12(9)18)7-10(16)14-5-4-13-3/h8-9,13H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide?
2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 118201010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).