3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide

C21H32F3N3O3 — CID 11908029

IUPAC3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1N1C(=O)N[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O
InChIInChI=1S/C21H32F3N3O3/c1-13-7-6-10-16(14(13)2)27-18(29)20(21(22,23)24,26-19(27)30)25-17(28)12-11-15-8-4-3-5-9-15/h13-16H,3-12H2,1-2H3,(H,25,28)(H,26,30)/t13-,14-,16+,20-/m1/s1
InChIKeyCDTOJBWUWRECHM-DHYLWCPWSA-N
MW431.50 g/mol
LogP4.10
Rot. Bonds5

About 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide

3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide (PubChem CID 11908029) has the molecular formula C21H32F3N3O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide
PubChem CID11908029
Molecular FormulaC21H32F3N3O3
Molecular Weight431.50 g/mol
Exact Mass431.24
IUPAC Name3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1N1C(=O)N[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O
InChIInChI=1S/C21H32F3N3O3/c1-13-7-6-10-16(14(13)2)27-18(29)20(21(22,23)24,26-19(27)30)25-17(28)12-11-15-8-4-3-5-9-15/h13-16H,3-12H2,1-2H3,(H,25,28)(H,26,30)/t13-,14-,16+,20-/m1/s1
InChIKeyCDTOJBWUWRECHM-DHYLWCPWSA-N
XLogP4.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide (CID 11908029) is 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide is C[C@@H]1[C@H](C)CCC[C@@H]1N1C(=O)N[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O.
What is the InChIKey of 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide?
The InChIKey is CDTOJBWUWRECHM-DHYLWCPWSA-N. The full InChI is InChI=1S/C21H32F3N3O3/c1-13-7-6-10-16(14(13)2)27-18(29)20(21(22,23)24,26-19(27)30)25-17(28)12-11-15-8-4-3-5-9-15/h13-16H,3-12H2,1-2H3,(H,25,28)(H,26,30)/t13-,14-,16+,20-/m1/s1.
What are the key properties of 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide?
3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide has a molecular weight of 431.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide is sourced from PubChem (CID 11908029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).