2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide

C12H21N3O3 — CID 17403905

IUPAC2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)NC)C1=O
InChIInChI=1S/C12H21N3O3/c1-4-6-12(7-5-2)10(17)15(11(18)14-12)8-9(16)13-3/h4-8H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyZSSVOQGVWGKHRF-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.62
Rot. Bonds6

About 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide

2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide (PubChem CID 17403905) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide
PubChem CID17403905
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)NC)C1=O
InChIInChI=1S/C12H21N3O3/c1-4-6-12(7-5-2)10(17)15(11(18)14-12)8-9(16)13-3/h4-8H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyZSSVOQGVWGKHRF-UHFFFAOYSA-N
XLogP0.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide (CID 17403905) is 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide is CCCC1(CCC)NC(=O)N(CC(=O)NC)C1=O.
What is the InChIKey of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide?
The InChIKey is ZSSVOQGVWGKHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-6-12(7-5-2)10(17)15(11(18)14-12)8-9(16)13-3/h4-8H2,1-3H3,(H,13,16)(H,14,18).
What are the key properties of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide?
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide has a molecular weight of 255.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 17403905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).