2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide

C25H29N3O3 — CID 7300103

IUPAC2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1
InChIInChI=1S/C25H29N3O3/c1-18-12-14-21(15-13-18)26-22(29)17-28-23(30)25(27-24(28)31,20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3,(H,26,29)(H,27,31)/t18?,21?,25-/m0/s1
InChIKeyQKLJCWVRWYTZBO-JUWHTYBZSA-N
MW419.53 g/mol
LogP3.37
Rot. Bonds6

About 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide

2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 7300103) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID7300103
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1
InChIInChI=1S/C25H29N3O3/c1-18-12-14-21(15-13-18)26-22(29)17-28-23(30)25(27-24(28)31,20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3,(H,26,29)(H,27,31)/t18?,21?,25-/m0/s1
InChIKeyQKLJCWVRWYTZBO-JUWHTYBZSA-N
XLogP3.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.37
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-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-cyclohexylacetamide
CID 40617195
N-(4-methylcyclohexyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7043085
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 2647082
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7181289
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2705330
(5R)-5-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7240320
(5S)-5-benzyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7300130
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 2705361
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 7300104
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7637654
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 16545157
(5R)-5-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7300133

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 7300103) is 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1.
What is the InChIKey of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is QKLJCWVRWYTZBO-JUWHTYBZSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18-12-14-21(15-13-18)26-22(29)17-28-23(30)25(27-24(28)31,20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3,(H,26,29)(H,27,31)/t18?,21?,25-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 7300103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).