N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide

C18H25N3O3 — CID 2585330

IUPACN-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C18H25N3O3/c1-5-11-18(13-9-7-6-8-10-13)15(23)21(16(24)20-18)12-14(22)19-17(2,3)4/h6-10H,5,11-12H2,1-4H3,(H,19,22)(H,20,24)/t18-/m0/s1
InChIKeyMDILRPBZXDGRRV-SFHVURJKSA-N
MW331.42 g/mol
LogP2.15
Rot. Bonds5

About N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide

N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide (PubChem CID 2585330) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
PubChem CID2585330
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C18H25N3O3/c1-5-11-18(13-9-7-6-8-10-13)15(23)21(16(24)20-18)12-14(22)19-17(2,3)4/h6-10H,5,11-12H2,1-4H3,(H,19,22)(H,20,24)/t18-/m0/s1
InChIKeyMDILRPBZXDGRRV-SFHVURJKSA-N
XLogP2.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.15
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-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242674
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8572588
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30761854
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8521760
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 24566026
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4081516
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-ethylhexyl]acetamide
CID 8572517
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521761

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide (CID 2585330) is N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide is CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(C)(C)C)C1=O.
What is the InChIKey of N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The InChIKey is MDILRPBZXDGRRV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-5-11-18(13-9-7-6-8-10-13)15(23)21(16(24)20-18)12-14(22)19-17(2,3)4/h6-10H,5,11-12H2,1-4H3,(H,19,22)(H,20,24)/t18-/m0/s1.
What are the key properties of N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2585330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).