2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C18H26F3N3O3 — CID 55523413

IUPAC2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCN1C(=O)N(CC(=O)NC2CCCC(C(F)(F)F)C2)C(=O)C12CCCCC2
InChIInChI=1S/C18H26F3N3O3/c1-23-16(27)24(15(26)17(23)8-3-2-4-9-17)11-14(25)22-13-7-5-6-12(10-13)18(19,20)21/h12-13H,2-11H2,1H3,(H,22,25)
InChIKeyNHPHVFXQGGNNNG-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.82
Rot. Bonds3

About 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 55523413) has the molecular formula C18H26F3N3O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID55523413
Molecular FormulaC18H26F3N3O3
Molecular Weight389.42 g/mol
Exact Mass389.19
IUPAC Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCN1C(=O)N(CC(=O)NC2CCCC(C(F)(F)F)C2)C(=O)C12CCCCC2
InChIInChI=1S/C18H26F3N3O3/c1-23-16(27)24(15(26)17(23)8-3-2-4-9-17)11-14(25)22-13-7-5-6-12(10-13)18(19,20)21/h12-13H,2-11H2,1H3,(H,22,25)
InChIKeyNHPHVFXQGGNNNG-UHFFFAOYSA-N
XLogP2.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119477685
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55526270
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 8635575
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4793877
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24647115
2-(1-hydroxycyclopentyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 111430402
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18169395
4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid
CID 119352697
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43068422
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 56761630
N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34947284
ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate
CID 7850188

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 55523413) is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is CN1C(=O)N(CC(=O)NC2CCCC(C(F)(F)F)C2)C(=O)C12CCCCC2.
What is the InChIKey of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is NHPHVFXQGGNNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O3/c1-23-16(27)24(15(26)17(23)8-3-2-4-9-17)11-14(25)22-13-7-5-6-12(10-13)18(19,20)21/h12-13H,2-11H2,1H3,(H,22,25).
What are the key properties of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 389.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 55523413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).