N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C13H21N3O4 — CID 9375311

IUPACN-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C13H21N3O4/c1-7(2)9(5)14-10(17)6-15-11(18)12(19)16(8(3)4)13(15)20/h7-9H,6H2,1-5H3,(H,14,17)/t9-/m1/s1
InChIKeyOFRCAZZMRDQISI-SECBINFHSA-N
MW283.33 g/mol
LogP0.35
Rot. Bonds5

About N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 9375311) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID9375311
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C13H21N3O4/c1-7(2)9(5)14-10(17)6-15-11(18)12(19)16(8(3)4)13(15)20/h7-9H,6H2,1-5H3,(H,14,17)/t9-/m1/s1
InChIKeyOFRCAZZMRDQISI-SECBINFHSA-N
XLogP0.35
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375291
N-[(1R)-1-phenylethyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975986
N-cyclopentyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975978
N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375273
N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 8569191
N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652393
N-(cyclopentylcarbamoyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652362
N-[4-(dimethylamino)phenyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7762086
N-(2-ethylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975944
N-(2-ethyl-6-methylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975795
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 87022541
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 55523800

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 9375311) is N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is CC(C)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is OFRCAZZMRDQISI-SECBINFHSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-7(2)9(5)14-10(17)6-15-11(18)12(19)16(8(3)4)13(15)20/h7-9H,6H2,1-5H3,(H,14,17)/t9-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 9375311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).