2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide

C22H31N3O3 — CID 134054178

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)C(C)c1ccc(C)cc1)C2=O
InChIInChI=1S/C22H31N3O3/c1-5-17-10-12-22(13-11-17)20(27)25(21(28)23-22)14-19(26)24(4)16(3)18-8-6-15(2)7-9-18/h6-9,16-17H,5,10-14H2,1-4H3,(H,23,28)
InChIKeyZSUDLASCBROTMG-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.41
Rot. Bonds5

About 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 134054178) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID134054178
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)C(C)c1ccc(C)cc1)C2=O
InChIInChI=1S/C22H31N3O3/c1-5-17-10-12-22(13-11-17)20(27)25(21(28)23-22)14-19(26)24(4)16(3)18-8-6-15(2)7-9-18/h6-9,16-17H,5,10-14H2,1-4H3,(H,23,28)
InChIKeyZSUDLASCBROTMG-UHFFFAOYSA-N
XLogP3.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.41
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

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide
CID 134058489
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 46580301
N,N-diethyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180872
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054177
N-butyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
CID 51215310
N-ethyl-N-(2-ethylbutyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55689087
2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 97243650
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46665930
3-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120659912
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 55456770
3-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120659911

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide (CID 134054178) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)C(C)c1ccc(C)cc1)C2=O.
What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is ZSUDLASCBROTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-5-17-10-12-22(13-11-17)20(27)25(21(28)23-22)14-19(26)24(4)16(3)18-8-6-15(2)7-9-18/h6-9,16-17H,5,10-14H2,1-4H3,(H,23,28).
What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide?
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 134054178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).