3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one

C18H23Cl2NO3 — CID 91363989

IUPAC3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one
SMILESCOC1(C)CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2O
InChIInChI=1S/C18H23Cl2NO3/c1-10-8-11(19)9-12(20)13(10)14-15(22)18(21-16(14)23)6-4-17(2,24-3)5-7-18/h8-9,14-15,22H,4-7H2,1-3H3,(H,21,23)
InChIKeyNDTGRYVCLMEQBK-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.59
Rot. Bonds2

About 3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one

3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one (PubChem CID 91363989) has the molecular formula C18H23Cl2NO3 and a molecular weight of 372.29 g/mol. Its IUPAC name is 3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one
PubChem CID91363989
Molecular FormulaC18H23Cl2NO3
Molecular Weight372.29 g/mol
Exact Mass371.11
IUPAC Name3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one
SMILESCOC1(C)CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2O
InChIInChI=1S/C18H23Cl2NO3/c1-10-8-11(19)9-12(20)13(10)14-15(22)18(21-16(14)23)6-4-17(2,24-3)5-7-18/h8-9,14-15,22H,4-7H2,1-3H3,(H,21,23)
InChIKeyNDTGRYVCLMEQBK-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 90688550
3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
CID 142928635
3-(2,6-dichloro-4-prop-1-ynylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one
CID 123536716
3-(2,4-dichloro-6-methylphenyl)-8-methoxy-1-azaspiro[4.4]nonane-2,4-dione
CID 67439161
3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]decan-2-one
CID 143050037
3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 91599739
2-(2,4-dichloro-6-methylphenyl)-5,6-dimethyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione
CID 91175314
3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 54704188
5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one
CID 11209044
1-[(2,4,6-trichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034929
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide
CID 74233036
(4S)-4-(2,4-dichloro-6-hydroxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188572

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one (CID 91363989) is 3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one is COC1(C)CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2O.
What is the InChIKey of 3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one?
The InChIKey is NDTGRYVCLMEQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO3/c1-10-8-11(19)9-12(20)13(10)14-15(22)18(21-16(14)23)6-4-17(2,24-3)5-7-18/h8-9,14-15,22H,4-7H2,1-3H3,(H,21,23).
What are the key properties of 3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one?
3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one has a molecular weight of 372.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 91363989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).