N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C23H29N3O3 — CID 7242542

IUPACN-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3C4CC5CC(C4)CC3C5)C2=O)cc1
InChIInChI=1S/C23H29N3O3/c1-13-3-5-18(6-4-13)23(2)21(28)26(22(29)25-23)12-19(27)24-20-16-8-14-7-15(10-16)11-17(20)9-14/h3-6,14-17,20H,7-12H2,1-2H3,(H,24,27)(H,25,29)/t14?,15?,16?,17?,20?,23-/m1/s1
InChIKeyBFISHMKNHBRZJG-HBFOECCKSA-N
MW395.50 g/mol
LogP2.70
Rot. Bonds4

About N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7242542) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7242542
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3C4CC5CC(C4)CC3C5)C2=O)cc1
InChIInChI=1S/C23H29N3O3/c1-13-3-5-18(6-4-13)23(2)21(28)26(22(29)25-23)12-19(27)24-20-16-8-14-7-15(10-16)11-17(20)9-14/h3-6,14-17,20H,7-12H2,1-2H3,(H,24,27)(H,25,29)/t14?,15?,16?,17?,20?,23-/m1/s1
InChIKeyBFISHMKNHBRZJG-HBFOECCKSA-N
XLogP2.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.70
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-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242527
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2646977
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 100814193
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553932
3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 166184627
3-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 120659910
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2581518
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
(2R)-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119370203
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7242542) is N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3C4CC5CC(C4)CC3C5)C2=O)cc1.
What is the InChIKey of N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is BFISHMKNHBRZJG-HBFOECCKSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-13-3-5-18(6-4-13)23(2)21(28)26(22(29)25-23)12-19(27)24-20-16-8-14-7-15(10-16)11-17(20)9-14/h3-6,14-17,20H,7-12H2,1-2H3,(H,24,27)(H,25,29)/t14?,15?,16?,17?,20?,23-/m1/s1.
What are the key properties of N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7242542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).