N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C23H29N3O3 — CID 7242749

IUPACN-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C23H29N3O3/c1-2-23(18-6-4-3-5-7-18)20(28)26(21(29)25-23)14-19(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,2,8-14H2,1H3,(H,24,27)(H,25,29)/t15?,16?,17?,22?,23-/m0/s1
InChIKeyDZJJEYFKIAGEPJ-FPJYJELGSA-N
MW395.50 g/mol
LogP2.93
Rot. Bonds5

About N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 7242749) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID7242749
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C23H29N3O3/c1-2-23(18-6-4-3-5-7-18)20(28)26(21(29)25-23)14-19(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,2,8-14H2,1H3,(H,24,27)(H,25,29)/t15?,16?,17?,22?,23-/m0/s1
InChIKeyDZJJEYFKIAGEPJ-FPJYJELGSA-N
XLogP2.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.93
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-[1-(1-adamantyl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 4804481
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317259
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17483792
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11892071
N-[cyclopropyl(phenyl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 51295946
(5S)-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 51434252
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8849641
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
N-(cyclohexylcarbamoyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179462
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 7242749) is N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is DZJJEYFKIAGEPJ-FPJYJELGSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-23(18-6-4-3-5-7-18)20(28)26(21(29)25-23)14-19(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,2,8-14H2,1H3,(H,24,27)(H,25,29)/t15?,16?,17?,22?,23-/m0/s1.
What are the key properties of N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7242749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).