2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide

C11H20N4O2 — CID 138390417

IUPAC2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1CC(=O)NC(C)C
InChIInChI=1S/C11H20N4O2/c1-6(2)13-9(16)5-8-10(12)14-11(17)15(8)7(3)4/h6-8H,5H2,1-4H3,(H,13,16)(H2,12,14,17)
InChIKeyZLNBQNBWHGUDTG-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.68
Rot. Bonds4

About 2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide

2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide (PubChem CID 138390417) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide
PubChem CID138390417
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1CC(=O)NC(C)C
InChIInChI=1S/C11H20N4O2/c1-6(2)13-9(16)5-8-10(12)14-11(17)15(8)7(3)4/h6-8H,5H2,1-4H3,(H,13,16)(H2,12,14,17)
InChIKeyZLNBQNBWHGUDTG-UHFFFAOYSA-N
XLogP0.68
TPSA85.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide
CID 138388887
4-imino-5-(4-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one
CID 138390571
2-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-N,N-dimethylacetamide
CID 138388382
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
2-[5-amino-3-(cyclopropylmethyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide
CID 79985478
2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide
CID 69037010
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323
2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide
CID 103125257
2-(1-ethylazetidin-3-yl)-N-propan-2-ylacetamide
CID 135224952
[2-oxo-2-(propan-2-ylamino)ethyl] carbamimidothioate
CID 65212140
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide
CID 102852256
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708

Frequently Asked Questions

What is the IUPAC name of 2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide (CID 138390417) is 2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide is [H]/N=C1\NC(=O)N(C(C)C)C1CC(=O)NC(C)C.
What is the InChIKey of 2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide?
The InChIKey is ZLNBQNBWHGUDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6(2)13-9(16)5-8-10(12)14-11(17)15(8)7(3)4/h6-8H,5H2,1-4H3,(H,13,16)(H2,12,14,17).
What are the key properties of 2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide?
2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide has a molecular weight of 240.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 138390417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).