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

C17H29N3O3 — CID 134058489

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)CC(C)C)C2=O
InChIInChI=1S/C17H29N3O3/c1-5-13-6-8-17(9-7-13)15(22)20(16(23)18-17)11-14(21)19(4)10-12(2)3/h12-13H,5-11H2,1-4H3,(H,18,23)
InChIKeySWTYOPMNGCUYDN-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.99
Rot. Bonds5

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

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide (PubChem CID 134058489) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide
PubChem CID134058489
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)CC(C)C)C2=O
InChIInChI=1S/C17H29N3O3/c1-5-13-6-8-17(9-7-13)15(22)20(16(23)18-17)11-14(21)19(4)10-12(2)3/h12-13H,5-11H2,1-4H3,(H,18,23)
InChIKeySWTYOPMNGCUYDN-UHFFFAOYSA-N
XLogP1.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.99
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-butyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
CID 51215310
N,N-diethyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180872
N-ethyl-N-(2-ethylbutyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55689087
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054178
8-ethyl-3-(2-methylpropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7568235
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119824077
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 2583608
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-[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
3-[2-(1-adamantyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264149
8-ethyl-3-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119544004

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-(2-methylpropyl)acetamide?
The IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide (CID 134058489) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)CC(C)C)C2=O.
What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide?
The InChIKey is SWTYOPMNGCUYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-5-13-6-8-17(9-7-13)15(22)20(16(23)18-17)11-14(21)19(4)10-12(2)3/h12-13H,5-11H2,1-4H3,(H,18,23).
What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide?
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 1.99, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 134058489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).