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

C22H24N2O2 — CID 19814309

IUPAC3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(Cc2ccccc2)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C22H24N2O2/c1-18-22(26-21(25)24(18)17-20-10-6-3-7-11-20)12-14-23(15-13-22)16-19-8-4-2-5-9-19/h2-11H,1,12-17H2
InChIKeySMJLUBQRQZUKBW-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.19
Rot. Bonds4

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

3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 19814309) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID19814309
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(Cc2ccccc2)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C22H24N2O2/c1-18-22(26-21(25)24(18)17-20-10-6-3-7-11-20)12-14-23(15-13-22)16-19-8-4-2-5-9-19/h2-11H,1,12-17H2
InChIKeySMJLUBQRQZUKBW-UHFFFAOYSA-N
XLogP4.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-benzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814236
8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 69054457
8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 12832700
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435681
1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one
CID 71489717
1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
CID 22660725
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
8-[2-(4-chlorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 3077268
1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one
CID 71489722
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
3-benzyl-5,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 10904013

Frequently Asked Questions

What is the IUPAC name of 3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 19814309) is 3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(Cc2ccccc2)C(=O)OC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SMJLUBQRQZUKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-18-22(26-21(25)24(18)17-20-10-6-3-7-11-20)12-14-23(15-13-22)16-19-8-4-2-5-9-19/h2-11H,1,12-17H2.
What are the key properties of 3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).