N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C12H21N3O4 — CID 103772955

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCC(C)(C)CCO)C1=O
InChIInChI=1S/C12H21N3O4/c1-12(2,4-5-16)8-13-9(17)6-15-10(18)7-14(3)11(15)19/h16H,4-8H2,1-3H3,(H,13,17)
InChIKeyAJYWYAQXGJEOQM-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.59
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 103772955) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID103772955
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCC(C)(C)CCO)C1=O
InChIInChI=1S/C12H21N3O4/c1-12(2,4-5-16)8-13-9(17)6-15-10(18)7-14(3)11(15)19/h16H,4-8H2,1-3H3,(H,13,17)
InChIKeyAJYWYAQXGJEOQM-UHFFFAOYSA-N
XLogP-0.59
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43419262
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730623
2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid
CID 43619005
N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112778992
N-(4-hydroxy-2,2-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103772455
N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 106147925
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 47095418
N-(4-hydroxypentyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 107299809
(2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid
CID 107834366
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 112778993
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 104857752
N-(3,3-diphenylpropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014704

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 103772955) is N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)NCC(C)(C)CCO)C1=O.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is AJYWYAQXGJEOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-12(2,4-5-16)8-13-9(17)6-15-10(18)7-14(3)11(15)19/h16H,4-8H2,1-3H3,(H,13,17).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 103772955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).