8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

C16H22N2O2 — CID 130677273

IUPAC8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC1OC2(CCN(Cc3ccccc3)CC2)NC1=O
InChIInChI=1S/C16H22N2O2/c1-2-14-15(19)17-16(20-14)8-10-18(11-9-16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19)
InChIKeyGLRXGDRJWVHPCE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.90
Rot. Bonds3

About 8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 130677273) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID130677273
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC1OC2(CCN(Cc3ccccc3)CC2)NC1=O
InChIInChI=1S/C16H22N2O2/c1-2-14-15(19)17-16(20-14)8-10-18(11-9-16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19)
InChIKeyGLRXGDRJWVHPCE-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11518621
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7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135374652
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 130677273) is 8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is CCC1OC2(CCN(Cc3ccccc3)CC2)NC1=O.
What is the InChIKey of 8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GLRXGDRJWVHPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-14-15(19)17-16(20-14)8-10-18(11-9-16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19).
What are the key properties of 8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 274.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 130677273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).