N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

C25H29N3O3 — CID 3900043

IUPACN-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESCC1CCCC(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1C
InChIInChI=1S/C25H29N3O3/c1-17-10-9-15-21(18(17)2)26-22(29)16-28-23(30)25(27-24(28)31,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,17-18,21H,9-10,15-16H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyZBKUHMZZMFGGLW-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.42
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (PubChem CID 3900043) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
PubChem CID3900043
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESCC1CCCC(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1C
InChIInChI=1S/C25H29N3O3/c1-17-10-9-15-21(18(17)2)26-22(29)16-28-23(30)25(27-24(28)31,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,17-18,21H,9-10,15-16H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyZBKUHMZZMFGGLW-UHFFFAOYSA-N
XLogP3.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (CID 3900043) is N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is CC1CCCC(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is ZBKUHMZZMFGGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-10-9-15-21(18(17)2)26-22(29)16-28-23(30)25(27-24(28)31,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,17-18,21H,9-10,15-16H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 3900043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).