N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C20H31N3O3S — CID 126464224

IUPACN-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCC2CCC3(CCN(C(=O)CC(C)C)CC3)O2)cs1
InChIInChI=1S/C20H31N3O3S/c1-14(2)10-19(25)23-8-6-20(7-9-23)5-4-17(26-20)12-21-18(24)11-16-13-27-15(3)22-16/h13-14,17H,4-12H2,1-3H3,(H,21,24)
InChIKeyIMYWEYGPSASMFP-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.70
Rot. Bonds6

About N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 126464224) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID126464224
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCC2CCC3(CCN(C(=O)CC(C)C)CC3)O2)cs1
InChIInChI=1S/C20H31N3O3S/c1-14(2)10-19(25)23-8-6-20(7-9-23)5-4-17(26-20)12-21-18(24)11-16-13-27-15(3)22-16/h13-14,17H,4-12H2,1-3H3,(H,21,24)
InChIKeyIMYWEYGPSASMFP-UHFFFAOYSA-N
XLogP2.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide 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 N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 126464224) is N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NCC2CCC3(CCN(C(=O)CC(C)C)CC3)O2)cs1.
What is the InChIKey of N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IMYWEYGPSASMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-14(2)10-19(25)23-8-6-20(7-9-23)5-4-17(26-20)12-21-18(24)11-16-13-27-15(3)22-16/h13-14,17H,4-12H2,1-3H3,(H,21,24).
What are the key properties of N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 393.55 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 126464224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).