3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one

C19H27NO2 — CID 143050037

IUPAC3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one
SMILESCCc1cc(C)cc(C)c1C1C(=O)NC2(CCCCC2)C1O
InChIInChI=1S/C19H27NO2/c1-4-14-11-12(2)10-13(3)15(14)16-17(21)19(20-18(16)22)8-6-5-7-9-19/h10-11,16-17,21H,4-9H2,1-3H3,(H,20,22)
InChIKeyRXYJMACWRCHXBF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.14
Rot. Bonds2

About 3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one

3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one (PubChem CID 143050037) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one
PubChem CID143050037
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one
SMILESCCc1cc(C)cc(C)c1C1C(=O)NC2(CCCCC2)C1O
InChIInChI=1S/C19H27NO2/c1-4-14-11-12(2)10-13(3)15(14)16-17(21)19(20-18(16)22)8-6-5-7-9-19/h10-11,16-17,21H,4-9H2,1-3H3,(H,20,22)
InChIKeyRXYJMACWRCHXBF-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-3-(2-ethyl-4,6-dimethylphenyl)-5-methylpyrrolidine-2,4-dione
CID 68706925
[2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate
CID 71169091
3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one
CID 91363989
3-(2,6-diethyl-4-methylphenyl)-8-(hydroxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 90786668
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609704
[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate
CID 59030299
[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methanesulfonate
CID 59030292
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
3-(2-bromo-6-ethyl-4-methylphenyl)-5-cyclopropyl-5-methylpyrrolidine-2,4-dione
CID 69449764
ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate
CID 101000541
1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116747686
3-chloro-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 139825783

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one (CID 143050037) is 3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one is CCc1cc(C)cc(C)c1C1C(=O)NC2(CCCCC2)C1O.
What is the InChIKey of 3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one?
The InChIKey is RXYJMACWRCHXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-14-11-12(2)10-13(3)15(14)16-17(21)19(20-18(16)22)8-6-5-7-9-19/h10-11,16-17,21H,4-9H2,1-3H3,(H,20,22).
What are the key properties of 3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one?
3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one has a molecular weight of 301.43 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 143050037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).