3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H22N2O2 — CID 3077247

IUPAC3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C17H22N2O2/c1-14-17(21-16(20)18(14)2)9-12-19(13-10-17)11-8-15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3
InChIKeyCXCWJIXRYUBKKM-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.66
Rot. Bonds3

About 3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077247) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077247
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C17H22N2O2/c1-14-17(21-16(20)18(14)2)9-12-19(13-10-17)11-8-15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3
InChIKeyCXCWJIXRYUBKKM-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077247) is 3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(C)C(=O)OC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CXCWJIXRYUBKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14-17(21-16(20)18(14)2)9-12-19(13-10-17)11-8-15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3.
What are the key properties of 3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).