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

C22H23ClN2O2 — CID 3077248

IUPAC8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(c2ccccc2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2
InChIInChI=1S/C22H23ClN2O2/c1-17-22(27-21(26)25(17)20-5-3-2-4-6-20)12-15-24(16-13-22)14-11-18-7-9-19(23)10-8-18/h2-10H,1,11-16H2
InChIKeyHZZXPCOTKUDMCZ-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.89
Rot. Bonds4

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

8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077248) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077248
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(c2ccccc2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2
InChIInChI=1S/C22H23ClN2O2/c1-17-22(27-21(26)25(17)20-5-3-2-4-6-20)12-15-24(16-13-22)14-11-18-7-9-19(23)10-8-18/h2-10H,1,11-16H2
InChIKeyHZZXPCOTKUDMCZ-UHFFFAOYSA-N
XLogP4.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 155528829
2(3H)-Oxazolone, 4-(4-chlorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
CID 3040757
2-Oxazolidinone, 3-(4'-chloro(1,1'-biphenyl)-4-yl)-5-(methoxymethyl)-
CID 3061368
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-cyclohexyl-4-methylene-
CID 3077243
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 4-methylene-3-phenyl-8-(2-phenylethyl)-
CID 3077245
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-methylene-3-phenyl-
CID 3077252
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-4-methylene-3-(1-methylethyl)-
CID 3077257
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-methyl-4-methylene-
CID 3077268
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-(1,1-dimethylethyl)-4-methylene-
CID 3077269
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-4-methylene-3-propyl-
CID 3077277
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-ethyl-4-methylene-
CID 3077278
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-(3,4-dichlorophenyl)-4-methylene-, monohydrochloride
CID 3077282

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077248) is 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(c2ccccc2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.
What is the InChIKey of 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HZZXPCOTKUDMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-17-22(27-21(26)25(17)20-5-3-2-4-6-20)12-15-24(16-13-22)14-11-18-7-9-19(23)10-8-18/h2-10H,1,11-16H2.
What are the key properties of 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 382.89 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).