N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C12H18N4O5 — CID 7824261

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN1C(=O)C(=O)N(CC)C1=O
InChIInChI=1S/C12H18N4O5/c1-4-7(3)13-11(20)14-8(17)6-16-10(19)9(18)15(5-2)12(16)21/h7H,4-6H2,1-3H3,(H2,13,14,17,20)/t7-/m0/s1
InChIKeyLEZJVRIFOMFZKM-ZETCQYMHSA-N
MW298.30 g/mol
LogP-0.58
Rot. Bonds5

About N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 7824261) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID7824261
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN1C(=O)C(=O)N(CC)C1=O
InChIInChI=1S/C12H18N4O5/c1-4-7(3)13-11(20)14-8(17)6-16-10(19)9(18)15(5-2)12(16)21/h7H,4-6H2,1-3H3,(H2,13,14,17,20)/t7-/m0/s1
InChIKeyLEZJVRIFOMFZKM-ZETCQYMHSA-N
XLogP-0.58
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(Propan-2-yl)imidazolidine-2,4-dione
CID 568085
5-Methylhydantoin
CID 69216
L-5-methylhydantoin
CID 6419931
3,5-Dimethyl-2,4-Imidazolidinedione
CID 10154061
N-(cyclopentylcarbamoyl)-2-pyrrolidin-1-ylacetamide
CID 2458853
5,5-Dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 6501454
1-Propylimidazolidine-2,4,5-trione
CID 181667
N-cyclohexyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2109987
N-sec-Butyl-2-(2,5-dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-acetamide
CID 3155751
3-Butylimidazolidine-2,4-dione
CID 568235
Hydantoin, 3-(3-(dimethylamino)propyl)-, hydrochloride
CID 3070463
1-Cyclopropylimidazolidine-2,4-dione
CID 21257573

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 7824261) is N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CC[C@H](C)NC(=O)NC(=O)CN1C(=O)C(=O)N(CC)C1=O.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is LEZJVRIFOMFZKM-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-4-7(3)13-11(20)14-8(17)6-16-10(19)9(18)15(5-2)12(16)21/h7H,4-6H2,1-3H3,(H2,13,14,17,20)/t7-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 298.30 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7824261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).