[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate

C16H23N3O5 — CID 8759918

IUPAC[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C16H23N3O5/c1-10(2)8-13(21)24-9-12(20)18-19-14(22)16(17-15(19)23)6-4-11(3)5-7-16/h8,11H,4-7,9H2,1-3H3,(H,17,23)(H,18,20)
InChIKeyQYFYIENECWQEED-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.03
Rot. Bonds4

About [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate (PubChem CID 8759918) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate.

Molecular Properties

Compound Name[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate
PubChem CID8759918
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C16H23N3O5/c1-10(2)8-13(21)24-9-12(20)18-19-14(22)16(17-15(19)23)6-4-11(3)5-7-16/h8,11H,4-7,9H2,1-3H3,(H,17,23)(H,18,20)
InChIKeyQYFYIENECWQEED-UHFFFAOYSA-N
XLogP1.03
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate 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

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7779146
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 7787230
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8651848
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7860514
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7382167
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488860
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840553
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 16523121
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011692
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 16544368
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 7698948
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate
CID 75397187

Frequently Asked Questions

What is the IUPAC name of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate?
The IUPAC name of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate (CID 8759918) is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate.
What is the SMILES notation for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate?
The canonical SMILES for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate is CC(C)=CC(=O)OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O.
What is the InChIKey of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate?
The InChIKey is QYFYIENECWQEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-10(2)8-13(21)24-9-12(20)18-19-14(22)16(17-15(19)23)6-4-11(3)5-7-16/h8,11H,4-7,9H2,1-3H3,(H,17,23)(H,18,20).
What are the key properties of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate?
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate has a molecular weight of 337.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate is sourced from PubChem (CID 8759918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).