1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C21H32N2O6 — CID 154751862

IUPAC1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OC1CCC3(CC1)OCCO3)C2=O
InChIInChI=1S/C21H32N2O6/c1-14-10-19(2,3)13-20(11-14)17(25)23(18(26)22-20)12-16(24)29-15-4-6-21(7-5-15)27-8-9-28-21/h14-15H,4-13H2,1-3H3,(H,22,26)
InChIKeyXUXGDHRHLPFCGP-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.35
Rot. Bonds3

About 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 154751862) has the molecular formula C21H32N2O6 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID154751862
Molecular FormulaC21H32N2O6
Molecular Weight408.50 g/mol
Exact Mass408.23
IUPAC Name1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OC1CCC3(CC1)OCCO3)C2=O
InChIInChI=1S/C21H32N2O6/c1-14-10-19(2,3)13-20(11-14)17(25)23(18(26)22-20)12-16(24)29-15-4-6-21(7-5-15)27-8-9-28-21/h14-15H,4-13H2,1-3H3,(H,22,26)
InChIKeyXUXGDHRHLPFCGP-UHFFFAOYSA-N
XLogP2.35
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 154751862) is 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OC1CCC3(CC1)OCCO3)C2=O.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is XUXGDHRHLPFCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O6/c1-14-10-19(2,3)13-20(11-14)17(25)23(18(26)22-20)12-16(24)29-15-4-6-21(7-5-15)27-8-9-28-21/h14-15H,4-13H2,1-3H3,(H,22,26).
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 408.50 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 154751862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).