N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide

C21H35N3O3 — CID 112773994

IUPACN-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O
InChIInChI=1S/C21H35N3O3/c1-7-20(5,6)16-9-11-21(12-10-16)18(26)24(19(27)22-21)14-17(25)23(8-2)13-15(3)4/h16H,3,7-14H2,1-2,4-6H3,(H,22,27)
InChIKeyCFIXTROMCFHYLL-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.33
Rot. Bonds7

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

N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide (PubChem CID 112773994) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide
PubChem CID112773994
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O
InChIInChI=1S/C21H35N3O3/c1-7-20(5,6)16-9-11-21(12-10-16)18(26)24(19(27)22-21)14-17(25)23(8-2)13-15(3)4/h16H,3,7-14H2,1-2,4-6H3,(H,22,27)
InChIKeyCFIXTROMCFHYLL-UHFFFAOYSA-N
XLogP3.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 60514700
2-[methyl-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]propanoic acid
CID 119358842
N-(4-aminocyclohexyl)-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 91645441
N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 29221043
N,N-diethyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180872
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
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51909360
N-(2-aminoethyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide;hydrochloride
CID 119383121
N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
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-(4-ethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987246
N-(4-ethoxyphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987168

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide (CID 112773994) is N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O.
What is the InChIKey of N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is CFIXTROMCFHYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-7-20(5,6)16-9-11-21(12-10-16)18(26)24(19(27)22-21)14-17(25)23(8-2)13-15(3)4/h16H,3,7-14H2,1-2,4-6H3,(H,22,27).
What are the key properties of N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 377.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 112773994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).