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

C17H24N2O3 — CID 3077292

IUPAC4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)OC2(CCN(CCc3ccccc3)CC2)C1(C)O
InChIInChI=1S/C17H24N2O3/c1-16(21)17(22-15(20)18(16)2)9-12-19(13-10-17)11-8-14-6-4-3-5-7-14/h3-7,21H,8-13H2,1-2H3
InChIKeyCSVUXAAJXDKDJH-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.85
Rot. Bonds3

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

4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077292) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077292
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)OC2(CCN(CCc3ccccc3)CC2)C1(C)O
InChIInChI=1S/C17H24N2O3/c1-16(21)17(22-15(20)18(16)2)9-12-19(13-10-17)11-8-14-6-4-3-5-7-14/h3-7,21H,8-13H2,1-2H3
InChIKeyCSVUXAAJXDKDJH-UHFFFAOYSA-N
XLogP1.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fenspiride
CID 3344
4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
3-Benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3872332
4-Hydroxy-3,4,5-trimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 3238221
Oxazolidin-2-one, 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-
CID 568720
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-decyl-4-hydroxy-4-methyl-, monohydrochloride
CID 3077241
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, 8-(2-(4-chlorophenyl)ethyl)-3-cyclohexyl-4-hydroxy-4-methyl-
CID 3077246
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-phenylethyl)-
CID 3077253
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-(1,1-dimethylethyl)-4-methylene-8-(2-phenylethyl)-
CID 3077256
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 4-methylene-8-(2-phenylethyl)-3-propyl-
CID 3077285

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077292) is 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1C(=O)OC2(CCN(CCc3ccccc3)CC2)C1(C)O.
What is the InChIKey of 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CSVUXAAJXDKDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-16(21)17(22-15(20)18(16)2)9-12-19(13-10-17)11-8-14-6-4-3-5-7-14/h3-7,21H,8-13H2,1-2H3.
What are the key properties of 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).