2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide

C23H27N3O3 — CID 7595825

IUPAC2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-15(2)17-10-12-19(13-11-17)23(4)21(28)26(22(29)25-23)14-20(27)24-16(3)18-8-6-5-7-9-18/h5-13,15-16H,14H2,1-4H3,(H,24,27)(H,25,29)/t16-,23+/m1/s1
InChIKeyUWTGIOPSGDBNTG-MWTRTKDXSA-N
MW393.49 g/mol
LogP3.45
Rot. Bonds6

About 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 7595825) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID7595825
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-15(2)17-10-12-19(13-11-17)23(4)21(28)26(22(29)25-23)14-20(27)24-16(3)18-8-6-5-7-9-18/h5-13,15-16H,14H2,1-4H3,(H,24,27)(H,25,29)/t16-,23+/m1/s1
InChIKeyUWTGIOPSGDBNTG-MWTRTKDXSA-N
XLogP3.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.45
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

2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55327757
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7596132
N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7179083
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 41194369
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8625506
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2702070
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41101263
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 92786542

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 7595825) is 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is UWTGIOPSGDBNTG-MWTRTKDXSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)17-10-12-19(13-11-17)23(4)21(28)26(22(29)25-23)14-20(27)24-16(3)18-8-6-5-7-9-18/h5-13,15-16H,14H2,1-4H3,(H,24,27)(H,25,29)/t16-,23+/m1/s1.
What are the key properties of 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 7595825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).