2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H28N4O4 — CID 40666947

IUPAC2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC[C@@]1(C2CCCCC2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O
InChIInChI=1S/C22H28N4O4/c1-22(15-6-3-2-4-7-15)20(29)26(21(30)24-22)14-18(27)23-16-9-11-17(12-10-16)25-13-5-8-19(25)28/h9-12,15H,2-8,13-14H2,1H3,(H,23,27)(H,24,30)/t22-/m0/s1
InChIKeyXSDGGUFHCBCEEJ-QFIPXVFZSA-N
MW412.49 g/mol
LogP2.64
Rot. Bonds5

About 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 40666947) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID40666947
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC[C@@]1(C2CCCCC2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O
InChIInChI=1S/C22H28N4O4/c1-22(15-6-3-2-4-7-15)20(29)26(21(30)24-22)14-18(27)23-16-9-11-17(12-10-16)25-13-5-8-19(25)28/h9-12,15H,2-8,13-14H2,1H3,(H,23,27)(H,24,30)/t22-/m0/s1
InChIKeyXSDGGUFHCBCEEJ-QFIPXVFZSA-N
XLogP2.64
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7619141
methyl 4-[[2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7619230
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8935565
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17457011
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-thiophen-3-ylacetamide
CID 97021772
N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 155560182
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7043073
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 7618626
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36947132
N-(4-amino-3,5-dichlorophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46665102
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 7041034

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 40666947) is 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is C[C@@]1(C2CCCCC2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O.
What is the InChIKey of 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is XSDGGUFHCBCEEJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-22(15-6-3-2-4-7-15)20(29)26(21(30)24-22)14-18(27)23-16-9-11-17(12-10-16)25-13-5-8-19(25)28/h9-12,15H,2-8,13-14H2,1H3,(H,23,27)(H,24,30)/t22-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 412.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 40666947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).