2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane

C19H29NO — CID 65123122

IUPAC2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane
SMILESCC(C)c1ccc(C2CNCC3(CCCCCC3)O2)cc1
InChIInChI=1S/C19H29NO/c1-15(2)16-7-9-17(10-8-16)18-13-20-14-19(21-18)11-5-3-4-6-12-19/h7-10,15,18,20H,3-6,11-14H2,1-2H3
InChIKeyXKIBXYLPRXLGAH-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.56
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane

2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane (PubChem CID 65123122) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane
PubChem CID65123122
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane
SMILESCC(C)c1ccc(C2CNCC3(CCCCCC3)O2)cc1
InChIInChI=1S/C19H29NO/c1-15(2)16-7-9-17(10-8-16)18-13-20-14-19(21-18)11-5-3-4-6-12-19/h7-10,15,18,20H,3-6,11-14H2,1-2H3
InChIKeyXKIBXYLPRXLGAH-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane?
The IUPAC name of 2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane (CID 65123122) is 2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane is CC(C)c1ccc(C2CNCC3(CCCCCC3)O2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane?
The InChIKey is XKIBXYLPRXLGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15(2)16-7-9-17(10-8-16)18-13-20-14-19(21-18)11-5-3-4-6-12-19/h7-10,15,18,20H,3-6,11-14H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane?
2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane has a molecular weight of 287.45 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane is sourced from PubChem (CID 65123122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).