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

C22H24N2O2 — CID 3077245

IUPAC4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(c2ccccc2)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H24N2O2/c1-18-22(26-21(25)24(18)20-10-6-3-7-11-20)13-16-23(17-14-22)15-12-19-8-4-2-5-9-19/h2-11H,1,12-17H2
InChIKeyAEYHMYIOVQXIRF-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.23
Rot. Bonds4

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

4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077245) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077245
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(c2ccccc2)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H24N2O2/c1-18-22(26-21(25)24(18)20-10-6-3-7-11-20)13-16-23(17-14-22)15-12-19-8-4-2-5-9-19/h2-11H,1,12-17H2
InChIKeyAEYHMYIOVQXIRF-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-(4-chlorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 3077268
8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 3077258
3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814309
8-[4,4-bis(4-fluorophenyl)but-3-enyl]-3-(4-chlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19887365
N-(2-chloropyridine-3-carbonyl)-4-methylidene-2-oxo-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 19814369
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione
CID 15497951
4-methylidene-1-(2-phenylethyl)piperidine
CID 58902713
3-methyl-4-methylidene-8,8-bis(3-phenylpropyl)-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
CID 3077289
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 26336960
4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562539

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077245) is 4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(c2ccccc2)C(=O)OC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AEYHMYIOVQXIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-18-22(26-21(25)24(18)20-10-6-3-7-11-20)13-16-23(17-14-22)15-12-19-8-4-2-5-9-19/h2-11H,1,12-17H2.
What are the key properties of 4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).