2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

C24H35N3O3 — CID 47009749

IUPAC2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C24H35N3O3/c1-4-24(2,3)18-11-13-19(14-12-18)25-21(28)16-27-22(29)20(26-23(27)30)15-10-17-8-6-5-7-9-17/h5-9,18-20H,4,10-16H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyCAGBHXXHKVWTCP-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.65
Rot. Bonds8

About 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (PubChem CID 47009749) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
PubChem CID47009749
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C24H35N3O3/c1-4-24(2,3)18-11-13-19(14-12-18)25-21(28)16-27-22(29)20(26-23(27)30)15-10-17-8-6-5-7-9-17/h5-9,18-20H,4,10-16H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyCAGBHXXHKVWTCP-UHFFFAOYSA-N
XLogP3.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.65
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-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
N-(2-tert-butylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703909
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916993
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2463070
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916991
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995
N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2704027
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7916979
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2598211
(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2704050

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The IUPAC name of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (CID 47009749) is 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is CCC(C)(C)C1CCC(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)CC1.
What is the InChIKey of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The InChIKey is CAGBHXXHKVWTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-4-24(2,3)18-11-13-19(14-12-18)25-21(28)16-27-22(29)20(26-23(27)30)15-10-17-8-6-5-7-9-17/h5-9,18-20H,4,10-16H2,1-3H3,(H,25,28)(H,26,30).
What are the key properties of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide has a molecular weight of 413.56 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 47009749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).