3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H36N4O3 — CID 146246289

IUPAC3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N1CCC2(CC1)CN(CCN1CCC3(CC1)CC(=O)N(C)C3)C(=O)O2
InChIInChI=1S/C21H36N4O3/c1-17(2)24-10-6-21(7-11-24)16-25(19(27)28-21)13-12-23-8-4-20(5-9-23)14-18(26)22(3)15-20/h17H,4-16H2,1-3H3
InChIKeyZRQMSJGEWICOAU-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.63
Rot. Bonds4

About 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 146246289) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID146246289
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Name3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N1CCC2(CC1)CN(CCN1CCC3(CC1)CC(=O)N(C)C3)C(=O)O2
InChIInChI=1S/C21H36N4O3/c1-17(2)24-10-6-21(7-11-24)16-25(19(27)28-21)13-12-23-8-4-20(5-9-23)14-18(26)22(3)15-20/h17H,4-16H2,1-3H3
InChIKeyZRQMSJGEWICOAU-UHFFFAOYSA-N
XLogP1.63
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one 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 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 146246289) is 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)N1CCC2(CC1)CN(CCN1CCC3(CC1)CC(=O)N(C)C3)C(=O)O2.
What is the InChIKey of 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZRQMSJGEWICOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-17(2)24-10-6-21(7-11-24)16-25(19(27)28-21)13-12-23-8-4-20(5-9-23)14-18(26)22(3)15-20/h17H,4-16H2,1-3H3.
What are the key properties of 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 392.54 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 146246289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).