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

C23H27N3O3 — CID 7179723

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-4-16(3)17-11-13-19(14-12-17)24-20(27)15-26-21(28)23(5-2,25-22(26)29)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,24,27)(H,25,29)/t16-,23+/m1/s1
InChIKeyPQZJCHCRYXHYTF-MWTRTKDXSA-N
MW393.49 g/mol
LogP4.00
Rot. Bonds7

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

N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 7179723) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID7179723
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-4-16(3)17-11-13-19(14-12-17)24-20(27)15-26-21(28)23(5-2,25-22(26)29)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,24,27)(H,25,29)/t16-,23+/m1/s1
InChIKeyPQZJCHCRYXHYTF-MWTRTKDXSA-N
XLogP4.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.00
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-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-propylphenyl)acetamide
CID 24565803
4-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 2582874
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 18266833
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595738
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7242671
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7242663
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-pyridin-3-ylacetamide
CID 31541792
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3263041
N-(4-butan-2-ylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3501889

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 7179723) is N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@@H](C)c1ccc(NC(=O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is PQZJCHCRYXHYTF-MWTRTKDXSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-16(3)17-11-13-19(14-12-17)24-20(27)15-26-21(28)23(5-2,25-22(26)29)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,24,27)(H,25,29)/t16-,23+/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7179723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).