ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate

C15H25N3O4 — CID 70593591

IUPACethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)N1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C15H25N3O4/c1-7-22-12(21)18-10(19)15(16-11(18)20)8-13(2,3)17(6)14(4,5)9-15/h7-9H2,1-6H3,(H,16,20)
InChIKeyMMPKVTWJIMDRDA-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.72
Rot. Bonds1

About ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate

ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate (PubChem CID 70593591) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate
PubChem CID70593591
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)N1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C15H25N3O4/c1-7-22-12(21)18-10(19)15(16-11(18)20)8-13(2,3)17(6)14(4,5)9-15/h7-9H2,1-6H3,(H,16,20)
InChIKeyMMPKVTWJIMDRDA-UHFFFAOYSA-N
XLogP1.72
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate?
The IUPAC name of ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate (CID 70593591) is ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate is CCOC(=O)N1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O.
What is the InChIKey of ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate?
The InChIKey is MMPKVTWJIMDRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-7-22-12(21)18-10(19)15(16-11(18)20)8-13(2,3)17(6)14(4,5)9-15/h7-9H2,1-6H3,(H,16,20).
What are the key properties of ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate?
ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 70593591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).