N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C21H35N3O2S — CID 131682653

IUPACN-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1nc(C)c(CN2CC(C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)s1
InChIInChI=1S/C21H35N3O2S/c1-15-18(27-16(2)23-15)13-24-12-17(19(25)22-9-6-20(3,4)5)21(14-24)7-10-26-11-8-21/h17H,6-14H2,1-5H3,(H,22,25)
InChIKeyAVPOCRIWEQZYME-UHFFFAOYSA-N
MW393.60 g/mol
LogP3.54
Rot. Bonds5

About N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 131682653) has the molecular formula C21H35N3O2S and a molecular weight of 393.60 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID131682653
Molecular FormulaC21H35N3O2S
Molecular Weight393.60 g/mol
Exact Mass393.24
IUPAC NameN-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1nc(C)c(CN2CC(C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)s1
InChIInChI=1S/C21H35N3O2S/c1-15-18(27-16(2)23-15)13-24-12-17(19(25)22-9-6-20(3,4)5)21(14-24)7-10-26-11-8-21/h17H,6-14H2,1-5H3,(H,22,25)
InChIKeyAVPOCRIWEQZYME-UHFFFAOYSA-N
XLogP3.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide 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-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 131682653) is N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1nc(C)c(CN2CC(C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)s1.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is AVPOCRIWEQZYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2S/c1-15-18(27-16(2)23-15)13-24-12-17(19(25)22-9-6-20(3,4)5)21(14-24)7-10-26-11-8-21/h17H,6-14H2,1-5H3,(H,22,25).
What are the key properties of N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 393.60 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 131682653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).