9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H22N2O3 — CID 13061734

IUPAC9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(CCc3ccc(O)cc3)CC2)CN1
InChIInChI=1S/C16H22N2O3/c19-14-3-1-13(2-4-14)5-8-18-9-6-16(7-10-18)12-17-15(20)11-21-16/h1-4,19H,5-12H2,(H,17,20)
InChIKeyBZDVAUMVUPUBTH-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.92
Rot. Bonds3

About 9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 13061734) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID13061734
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(CCc3ccc(O)cc3)CC2)CN1
InChIInChI=1S/C16H22N2O3/c19-14-3-1-13(2-4-14)5-8-18-9-6-16(7-10-18)12-17-15(20)11-21-16/h1-4,19H,5-12H2,(H,17,20)
InChIKeyBZDVAUMVUPUBTH-UHFFFAOYSA-N
XLogP0.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 13061734) is 9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(CCc3ccc(O)cc3)CC2)CN1.
What is the InChIKey of 9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BZDVAUMVUPUBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14-3-1-13(2-4-14)5-8-18-9-6-16(7-10-18)12-17-15(20)11-21-16/h1-4,19H,5-12H2,(H,17,20).
What are the key properties of 9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 290.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 13061734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).