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

C17H20F3N3O3 — CID 51951283

IUPACN-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C17H20F3N3O3/c1-15(2,3)21-12(24)9-23-13(25)16(4,22-14(23)26)10-7-5-6-8-11(10)17(18,19)20/h5-8H,9H2,1-4H3,(H,21,24)(H,22,26)/t16-/m0/s1
InChIKeyMGWNQOUXAMGWKZ-INIZCTEOSA-N
MW371.36 g/mol
LogP2.39
Rot. Bonds3

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

N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (PubChem CID 51951283) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
PubChem CID51951283
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC NameN-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C17H20F3N3O3/c1-15(2,3)21-12(24)9-23-13(25)16(4,22-14(23)26)10-7-5-6-8-11(10)17(18,19)20/h5-8H,9H2,1-4H3,(H,21,24)(H,22,26)/t16-/m0/s1
InChIKeyMGWNQOUXAMGWKZ-INIZCTEOSA-N
XLogP2.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.39
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-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951293
N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429434
N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47082493
(5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951254
N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 167763599
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964336
N-tert-butyl-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2578448
2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 60617450
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2711003
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 94800969
N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94815011
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (CID 51951283) is N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is CC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The InChIKey is MGWNQOUXAMGWKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-15(2,3)21-12(24)9-23-13(25)16(4,22-14(23)26)10-7-5-6-8-11(10)17(18,19)20/h5-8H,9H2,1-4H3,(H,21,24)(H,22,26)/t16-/m0/s1.
What are the key properties of N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide has a molecular weight of 371.36 g/mol, XLogP of 2.39, 3 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)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 51951283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).