3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C18H31N3O3 — CID 128987293

IUPAC3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCCC2C2CCCCC2(C)O)C1=O
InChIInChI=1S/C18H31N3O3/c1-17(2)15(22)21(16(23)19-17)12-11-20-10-6-8-14(20)13-7-4-5-9-18(13,3)24/h13-14,24H,4-12H2,1-3H3,(H,19,23)
InChIKeyLEMSSCPFBFNXEU-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.72
Rot. Bonds4

About 3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 128987293) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID128987293
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCCC2C2CCCCC2(C)O)C1=O
InChIInChI=1S/C18H31N3O3/c1-17(2)15(22)21(16(23)19-17)12-11-20-10-6-8-14(20)13-7-4-5-9-18(13,3)24/h13-14,24H,4-12H2,1-3H3,(H,19,23)
InChIKeyLEMSSCPFBFNXEU-UHFFFAOYSA-N
XLogP1.72
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.72
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

3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94393094
3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62020103
5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 81491302
N-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 128971392
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886
5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94178433
2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol
CID 154757247
(2S,3aR,7aR)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125147766
5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129338308
N-cyclopropyl-5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129336365
3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43556669
3-[2-[(2,6-dimethylcyclohexyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 75444192

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 128987293) is 3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCCC2C2CCCCC2(C)O)C1=O.
What is the InChIKey of 3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LEMSSCPFBFNXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-17(2)15(22)21(16(23)19-17)12-11-20-10-6-8-14(20)13-7-4-5-9-18(13,3)24/h13-14,24H,4-12H2,1-3H3,(H,19,23).
What are the key properties of 3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 337.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 128987293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).