N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide

C17H26F3N3O3 — CID 4034918

IUPACN-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide
SMILESCCCCN1C(=O)NC(NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O
InChIInChI=1S/C17H26F3N3O3/c1-2-3-11-23-14(25)16(17(18,19)20,22-15(23)26)21-13(24)10-9-12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H,21,24)(H,22,26)
InChIKeyPHXPDFILKLMAGH-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.07
Rot. Bonds7

About N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide

N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide (PubChem CID 4034918) has the molecular formula C17H26F3N3O3 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide
PubChem CID4034918
Molecular FormulaC17H26F3N3O3
Molecular Weight377.41 g/mol
Exact Mass377.19
IUPAC NameN-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide
SMILESCCCCN1C(=O)NC(NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O
InChIInChI=1S/C17H26F3N3O3/c1-2-3-11-23-14(25)16(17(18,19)20,22-15(23)26)21-13(24)10-9-12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H,21,24)(H,22,26)
InChIKeyPHXPDFILKLMAGH-UHFFFAOYSA-N
XLogP3.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.07
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-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide (CID 4034918) is N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide is CCCCN1C(=O)NC(NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide?
The InChIKey is PHXPDFILKLMAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O3/c1-2-3-11-23-14(25)16(17(18,19)20,22-15(23)26)21-13(24)10-9-12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide?
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide has a molecular weight of 377.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 4034918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).