2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide

C22H39N3O3 — CID 55374449

IUPAC2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C22H39N3O3/c1-6-8-9-16(7-2)14-23-18(26)15-25-19(27)22(24-20(25)28)12-10-17(11-13-22)21(3,4)5/h16-17H,6-15H2,1-5H3,(H,23,26)(H,24,28)
InChIKeyLIUYBUHSAFKFIO-UHFFFAOYSA-N
MW393.57 g/mol
LogP3.85
Rot. Bonds8

About 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide (PubChem CID 55374449) has the molecular formula C22H39N3O3 and a molecular weight of 393.57 g/mol. Its IUPAC name is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide
PubChem CID55374449
Molecular FormulaC22H39N3O3
Molecular Weight393.57 g/mol
Exact Mass393.30
IUPAC Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C22H39N3O3/c1-6-8-9-16(7-2)14-23-18(26)15-25-19(27)22(24-20(25)28)12-10-17(11-13-22)21(3,4)5/h16-17H,6-15H2,1-5H3,(H,23,26)(H,24,28)
InChIKeyLIUYBUHSAFKFIO-UHFFFAOYSA-N
XLogP3.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(methylamino)propyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 120829700
N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 119996220
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide
CID 4786865
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86951518
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714303
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-ethylhexyl]acetamide
CID 8572517
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethylbutyl)acetamide
CID 115612598
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534048
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide
CID 55972396
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 55331657
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30753476
N-(2-amino-2-methylpropyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119627267

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide (CID 55374449) is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O.
What is the InChIKey of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide?
The InChIKey is LIUYBUHSAFKFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O3/c1-6-8-9-16(7-2)14-23-18(26)15-25-19(27)22(24-20(25)28)12-10-17(11-13-22)21(3,4)5/h16-17H,6-15H2,1-5H3,(H,23,26)(H,24,28).
What are the key properties of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide?
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide has a molecular weight of 393.57 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide is sourced from PubChem (CID 55374449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).