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

C16H25N3O4 — CID 11920002

IUPACN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)N1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)C1=O
InChIInChI=1S/C16H25N3O4/c1-9(2)19-15(22)14(21)18(16(19)23)8-13(20)17-12-7-5-6-10(3)11(12)4/h9-12H,5-8H2,1-4H3,(H,17,20)/t10-,11-,12+/m1/s1
InChIKeyVANPHHLNAYJHEL-UTUOFQBUSA-N
MW323.39 g/mol
LogP1.13
Rot. Bonds4

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

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 11920002) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID11920002
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)N1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)C1=O
InChIInChI=1S/C16H25N3O4/c1-9(2)19-15(22)14(21)18(16(19)23)8-13(20)17-12-7-5-6-10(3)11(12)4/h9-12H,5-8H2,1-4H3,(H,17,20)/t10-,11-,12+/m1/s1
InChIKeyVANPHHLNAYJHEL-UTUOFQBUSA-N
XLogP1.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.13
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-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 42900503
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124729977
N-cyclopentyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975978
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756880
N-(cyclopentylcarbamoyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652362
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 95165836
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 124723066
N-(2-methylpropyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375291
N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375311
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 11933778
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 124726524

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 11920002) is N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is CC(C)N1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)C1=O.
What is the InChIKey of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is VANPHHLNAYJHEL-UTUOFQBUSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-9(2)19-15(22)14(21)18(16(19)23)8-13(20)17-12-7-5-6-10(3)11(12)4/h9-12H,5-8H2,1-4H3,(H,17,20)/t10-,11-,12+/m1/s1.
What are the key properties of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 323.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 11920002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).