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

C17H22N2O2 — CID 19814312

IUPAC8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CC)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C17H22N2O2/c1-3-19-14(2)17(21-16(19)20)9-11-18(12-10-17)13-15-7-5-4-6-8-15/h4-8H,2-3,9-13H2,1H3
InChIKeyWAAPZHSSYBTFHO-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.01
Rot. Bonds3

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

8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 19814312) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID19814312
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CC)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C17H22N2O2/c1-3-19-14(2)17(21-16(19)20)9-11-18(12-10-17)13-15-7-5-4-6-8-15/h4-8H,2-3,9-13H2,1H3
InChIKeyWAAPZHSSYBTFHO-UHFFFAOYSA-N
XLogP3.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 19814312) is 8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(CC)C(=O)OC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WAAPZHSSYBTFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-19-14(2)17(21-16(19)20)9-11-18(12-10-17)13-15-7-5-4-6-8-15/h4-8H,2-3,9-13H2,1H3.
What are the key properties of 8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 286.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).