2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide

C12H19N3O4 — CID 78956824

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCC1(CNC(=O)CN2C(=O)NC(C)(C)C2=O)COC1
InChIInChI=1S/C12H19N3O4/c1-11(2)9(17)15(10(18)14-11)4-8(16)13-5-12(3)6-19-7-12/h4-7H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyABSHFVLFTNQWCU-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.53
Rot. Bonds4

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide (PubChem CID 78956824) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
PubChem CID78956824
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCC1(CNC(=O)CN2C(=O)NC(C)(C)C2=O)COC1
InChIInChI=1S/C12H19N3O4/c1-11(2)9(17)15(10(18)14-11)4-8(16)13-5-12(3)6-19-7-12/h4-7H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyABSHFVLFTNQWCU-UHFFFAOYSA-N
XLogP-0.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.53
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

2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 43170513
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 60623112
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethylbutyl)acetamide
CID 115612598
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112230
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103770597
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031584
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827233
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 7181981
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 107846533
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500739

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide (CID 78956824) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide is CC1(CNC(=O)CN2C(=O)NC(C)(C)C2=O)COC1.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The InChIKey is ABSHFVLFTNQWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-11(2)9(17)15(10(18)14-11)4-8(16)13-5-12(3)6-19-7-12/h4-7H2,1-3H3,(H,13,16)(H,14,18).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide is sourced from PubChem (CID 78956824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).