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

C18H24N4O4 — CID 7242674

IUPACN-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C18H24N4O4/c1-5-18(12-9-7-6-8-10-12)14(24)22(16(26)21-18)11-13(23)19-15(25)20-17(2,3)4/h6-10H,5,11H2,1-4H3,(H,21,26)(H2,19,20,23,25)/t18-/m0/s1
InChIKeyLZNQCIUNSRKOLP-SFHVURJKSA-N
MW360.41 g/mol
LogP1.47
Rot. Bonds4

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

N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 7242674) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID7242674
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C18H24N4O4/c1-5-18(12-9-7-6-8-10-12)14(24)22(16(26)21-18)11-13(23)19-15(25)20-17(2,3)4/h6-10H,5,11H2,1-4H3,(H,21,26)(H2,19,20,23,25)/t18-/m0/s1
InChIKeyLZNQCIUNSRKOLP-SFHVURJKSA-N
XLogP1.47
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595573
N-(tert-butylcarbamoyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595574
N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429434
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
N-(cyclohexylcarbamoyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179462
N-(ethylcarbamoyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4814167
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 2705361
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8849641
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317259

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 7242674) is N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C1=O.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is LZNQCIUNSRKOLP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-5-18(12-9-7-6-8-10-12)14(24)22(16(26)21-18)11-13(23)19-15(25)20-17(2,3)4/h6-10H,5,11H2,1-4H3,(H,21,26)(H2,19,20,23,25)/t18-/m0/s1.
What are the key properties of N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 360.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7242674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).