N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

C12H22N2O2 — CID 65107462

IUPACN-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC(C)(O)CNC(=O)C1CC12CCNCC2
InChIInChI=1S/C12H22N2O2/c1-11(2,16)8-14-10(15)9-7-12(9)3-5-13-6-4-12/h9,13,16H,3-8H2,1-2H3,(H,14,15)
InChIKeyPBPTXCWJRPDHOX-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.26
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 65107462) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID65107462
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC(C)(O)CNC(=O)C1CC12CCNCC2
InChIInChI=1S/C12H22N2O2/c1-11(2,16)8-14-10(15)9-7-12(9)3-5-13-6-4-12/h9,13,16H,3-8H2,1-2H3,(H,14,15)
InChIKeyPBPTXCWJRPDHOX-UHFFFAOYSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 65107462) is N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is CC(C)(O)CNC(=O)C1CC12CCNCC2.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is PBPTXCWJRPDHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,16)8-14-10(15)9-7-12(9)3-5-13-6-4-12/h9,13,16H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 65107462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).