3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

C14H25N3O4 — CID 103825428

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C)(CCO)CNC(=O)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H25N3O4/c1-13(2,6-8-18)9-15-10(19)5-7-17-11(20)14(3,4)16-12(17)21/h18H,5-9H2,1-4H3,(H,15,19)(H,16,21)
InChIKeyLSABBQHOHPRGJE-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.23
Rot. Bonds7

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (PubChem CID 103825428) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
PubChem CID103825428
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C)(CCO)CNC(=O)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H25N3O4/c1-13(2,6-8-18)9-15-10(19)5-7-17-11(20)14(3,4)16-12(17)21/h18H,5-9H2,1-4H3,(H,15,19)(H,16,21)
InChIKeyLSABBQHOHPRGJE-UHFFFAOYSA-N
XLogP0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385438
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657693
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517031
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21493759
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213794
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112230
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500739
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 103772955

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (CID 103825428) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is CC(C)(CCO)CNC(=O)CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The InChIKey is LSABBQHOHPRGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-13(2,6-8-18)9-15-10(19)5-7-17-11(20)14(3,4)16-12(17)21/h18H,5-9H2,1-4H3,(H,15,19)(H,16,21).
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 103825428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).