N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C13H24N2O2 — CID 113245472

IUPACN-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCCCNC(=O)N1CCC2(CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-3-7-14-12(16)15-8-4-13(11-15)5-9-17-10-6-13/h2-11H2,1H3,(H,14,16)
InChIKeyXUTPYOTZSUJQNY-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds3

About N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 113245472) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID113245472
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCCCNC(=O)N1CCC2(CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-3-7-14-12(16)15-8-4-13(11-15)5-9-17-10-6-13/h2-11H2,1H3,(H,14,16)
InChIKeyXUTPYOTZSUJQNY-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 113245472) is N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CCCCNC(=O)N1CCC2(CCOCC2)C1.
What is the InChIKey of N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is XUTPYOTZSUJQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-7-14-12(16)15-8-4-13(11-15)5-9-17-10-6-13/h2-11H2,1H3,(H,14,16).
What are the key properties of N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 113245472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).