1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione

C19H24N2O4 — CID 7799803

IUPAC1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
SMILESCc1ccc(OCCN2C(=O)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-13-7-9-15(10-8-13)25-12-11-20-17(22)18(23)21(19(20)24)16-6-4-3-5-14(16)2/h7-10,14,16H,3-6,11-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyYZJQONIELDEVFT-GOEBONIOSA-N
MW344.41 g/mol
LogP2.74
Rot. Bonds5

About 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione

1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione (PubChem CID 7799803) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
PubChem CID7799803
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
SMILESCc1ccc(OCCN2C(=O)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-13-7-9-15(10-8-13)25-12-11-20-17(22)18(23)21(19(20)24)16-6-4-3-5-14(16)2/h7-10,14,16H,3-6,11-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyYZJQONIELDEVFT-GOEBONIOSA-N
XLogP2.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
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

1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 2663052
N-[2-(4-chlorophenoxy)ethyl]-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 11929755
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9120435
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-[(1S,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7799925
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7800200
1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7800249
1-[(4-chlorophenyl)methyl]-3-[(1S,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7800251
1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione
CID 47045320
1-[2-(3-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 9451980
(5R)-5-methyl-1-(4-methylphenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 41074490
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 107072281
N-(2,6-dimethylphenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800366

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione (CID 7799803) is 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione is Cc1ccc(OCCN2C(=O)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1.
What is the InChIKey of 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is YZJQONIELDEVFT-GOEBONIOSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-7-9-15(10-8-13)25-12-11-20-17(22)18(23)21(19(20)24)16-6-4-3-5-14(16)2/h7-10,14,16H,3-6,11-12H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione?
1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 344.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7799803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).