3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one

C19H24ClNO3 — CID 58989225

IUPAC3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
SMILESCCc1cc(Cl)cc(C)c1C1=C(O)C2(CCC(OC)CC2)NC1=O
InChIInChI=1S/C19H24ClNO3/c1-4-12-10-13(20)9-11(2)15(12)16-17(22)19(21-18(16)23)7-5-14(24-3)6-8-19/h9-10,14,22H,4-8H2,1-3H3,(H,21,23)
InChIKeyWWZLRRMDBPHCHC-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.94
Rot. Bonds3

About 3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one

3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 58989225) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID58989225
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
SMILESCCc1cc(Cl)cc(C)c1C1=C(O)C2(CCC(OC)CC2)NC1=O
InChIInChI=1S/C19H24ClNO3/c1-4-12-10-13(20)9-11(2)15(12)16-17(22)19(21-18(16)23)7-5-14(24-3)6-8-19/h9-10,14,22H,4-8H2,1-3H3,(H,21,23)
InChIKeyWWZLRRMDBPHCHC-UHFFFAOYSA-N
XLogP3.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 54706411
3-(4-bromo-2,6-diethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 58989234
3-[4-chloro-2-ethyl-6-(2-methylpropoxy)phenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 58795512
4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 54712648
3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 71034928
4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 54692186
3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride
CID 160950378
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 59614606
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 169451318
[3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 59758675
8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 59562770
8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 76853144

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CID 58989225) is 3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one is CCc1cc(Cl)cc(C)c1C1=C(O)C2(CCC(OC)CC2)NC1=O.
What is the InChIKey of 3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is WWZLRRMDBPHCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-4-12-10-13(20)9-11(2)15(12)16-17(22)19(21-18(16)23)7-5-14(24-3)6-8-19/h9-10,14,22H,4-8H2,1-3H3,(H,21,23).
What are the key properties of 3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 349.86 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58989225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).