2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide

C15H24N2O3 — CID 122134891

IUPAC2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide
SMILESNC(=O)C1CCC1C(=O)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H24N2O3/c16-13(18)11-4-5-12(11)14(19)17-8-9-20-15(10-17)6-2-1-3-7-15/h11-12H,1-10H2,(H2,16,18)
InChIKeyMOMBEGKATADGGU-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.06
Rot. Bonds2

About 2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide

2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide (PubChem CID 122134891) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide
PubChem CID122134891
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide
SMILESNC(=O)C1CCC1C(=O)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H24N2O3/c16-13(18)11-4-5-12(11)14(19)17-8-9-20-15(10-17)6-2-1-3-7-15/h11-12H,1-10H2,(H2,16,18)
InChIKeyMOMBEGKATADGGU-UHFFFAOYSA-N
XLogP1.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide?
The IUPAC name of 2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide (CID 122134891) is 2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide?
The canonical SMILES for 2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide is NC(=O)C1CCC1C(=O)N1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide?
The InChIKey is MOMBEGKATADGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-13(18)11-4-5-12(11)14(19)17-8-9-20-15(10-17)6-2-1-3-7-15/h11-12H,1-10H2,(H2,16,18).
What are the key properties of 2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide?
2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 122134891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).