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

C20H28N2O2 — CID 10544278

IUPAC3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CCCC)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C20H28N2O2/c1-3-4-13-22-17(2)20(24-19(22)23)11-15-21(16-12-20)14-10-18-8-6-5-7-9-18/h5-9H,2-4,10-16H2,1H3
InChIKeyCFCMMEQJHVCIEZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.83
Rot. Bonds6

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

3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10544278) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10544278
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CCCC)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C20H28N2O2/c1-3-4-13-22-17(2)20(24-19(22)23)11-15-21(16-12-20)14-10-18-8-6-5-7-9-18/h5-9H,2-4,10-16H2,1H3
InChIKeyCFCMMEQJHVCIEZ-UHFFFAOYSA-N
XLogP3.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fenspiride
CID 3344
Fenspiride Hydrochloride
CID 68626
Fenpipalone
CID 30822
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-
CID 3077237
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-methylene-3-(phenylmethyl)-
CID 3077238
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, 3-methyl-4-methylene-8-(3-phenylpropyl)-
CID 3077244
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-methyl-4-methylene-8-(2-phenylethyl)-
CID 3077247
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-ethyl-4-methylene-8-(2-(4-methylphenyl)ethyl)-, monohydrochloride
CID 3077249
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-cyclohexyl-8-(2-(4-fluorophenyl)ethyl)-4-methylene-
CID 3077251
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-ethyl-4-methylene-8-(2-phenylethyl)-
CID 3077253
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-(1,1-dimethylethyl)-4-methylene-
CID 3077254

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10544278) is 3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(CCCC)C(=O)OC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CFCMMEQJHVCIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-4-13-22-17(2)20(24-19(22)23)11-15-21(16-12-20)14-10-18-8-6-5-7-9-18/h5-9H,2-4,10-16H2,1H3.
What are the key properties of 3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 328.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10544278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).