N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide

C15H22F3N3O3 — CID 2969295

IUPACN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)CN1C(=O)NC(NC(=O)C2CCCCC2)(C(F)(F)F)C1=O
InChIInChI=1S/C15H22F3N3O3/c1-9(2)8-21-12(23)14(15(16,17)18,20-13(21)24)19-11(22)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyHVRRYVALUKDXGZ-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.15
Rot. Bonds4

About N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide

N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide (PubChem CID 2969295) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
PubChem CID2969295
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC NameN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)CN1C(=O)NC(NC(=O)C2CCCCC2)(C(F)(F)F)C1=O
InChIInChI=1S/C15H22F3N3O3/c1-9(2)8-21-12(23)14(15(16,17)18,20-13(21)24)19-11(22)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyHVRRYVALUKDXGZ-UHFFFAOYSA-N
XLogP2.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.15
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

N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 2969407
1,3-Diazaspiro(4.5)decane-2,4-dione, 1-methyl-
CID 13423
1,3-Diazaspiro(4.5)decane-2,4-dione, 3-methyl-
CID 12816
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4410214
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
1,8-Dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3865268
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
CID 2980567
N-cyclohexyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16293462
5,5-Dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 24982466
Spirohydantoin aziridine
CID 128068
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 2998058
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
CID 3764663

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide (CID 2969295) is N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide is CC(C)CN1C(=O)NC(NC(=O)C2CCCCC2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
The InChIKey is HVRRYVALUKDXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-9(2)8-21-12(23)14(15(16,17)18,20-13(21)24)19-11(22)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 2969295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).