2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide

C21H28ClN3O3 — CID 124838283

IUPAC2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESCC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O
InChIInChI=1S/C21H28ClN3O3/c1-4-21(15-8-10-16(22)11-9-15)19(27)25(20(28)24-21)12-18(26)23-17-7-5-6-13(2)14(17)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,23,26)(H,24,28)/t13-,14-,17-,21-/m1/s1
InChIKeyIOSWYTZZACAJLH-DDBGFLLRSA-N
MW405.93 g/mol
LogP3.44
Rot. Bonds5

About 2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide

2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 124838283) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is 2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
PubChem CID124838283
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC Name2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESCC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O
InChIInChI=1S/C21H28ClN3O3/c1-4-21(15-8-10-16(22)11-9-15)19(27)25(20(28)24-21)12-18(26)23-17-7-5-6-13(2)14(17)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,23,26)(H,24,28)/t13-,14-,17-,21-/m1/s1
InChIKeyIOSWYTZZACAJLH-DDBGFLLRSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11892072
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11892741
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2584765
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11892071
(5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
CID 124719940
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 100814193
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-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 124719135
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 18165300
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 95165836
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11888799
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 9170354

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide (CID 124838283) is 2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide is CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O.
What is the InChIKey of 2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is IOSWYTZZACAJLH-DDBGFLLRSA-N. The full InChI is InChI=1S/C21H28ClN3O3/c1-4-21(15-8-10-16(22)11-9-15)19(27)25(20(28)24-21)12-18(26)23-17-7-5-6-13(2)14(17)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,23,26)(H,24,28)/t13-,14-,17-,21-/m1/s1.
What are the key properties of 2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 405.93 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 124838283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).