N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide

C15H22F3N3O3 — CID 3311806

IUPACN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C15H22F3N3O3/c1-2-3-9-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,19,22)(H,20,24)
InChIKeyIMDQPLNVZIYDPQ-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.44
Rot. Bonds5

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

N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide (PubChem CID 3311806) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
PubChem CID3311806
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC NameN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C15H22F3N3O3/c1-2-3-9-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,19,22)(H,20,24)
InChIKeyIMDQPLNVZIYDPQ-UHFFFAOYSA-N
XLogP2.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.44
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
N-cyclohexyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
CID 4917364
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 3692535
N-cyclohexyl-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide
CID 2954390
methyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
CID 2965077
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]acetamide
CID 2968525
Pyrrolidine-1,2-dicarboxylic acid 2-butylamide 1-cyclohexylamide
CID 3221232
N-cyclohexyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2109987
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]pentanamide
CID 2968907
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
The IUPAC name of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide (CID 3311806) is N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
The canonical SMILES for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide is CCCCC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
The InChIKey is IMDQPLNVZIYDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-2-3-9-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide has a molecular weight of 349.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide is sourced from PubChem (CID 3311806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).