8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione

C16H19NO4 — CID 91251101

IUPAC8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)OC(=O)C(c1ccc(C)cc1)C2=O
InChIInChI=1S/C16H19NO4/c1-11-3-5-12(6-4-11)13-14(18)16(21-15(13)19)7-9-17(20-2)10-8-16/h3-6,13H,7-10H2,1-2H3
InChIKeyLHXWATOQGQALKV-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.60
Rot. Bonds2

About 8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione

8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione (PubChem CID 91251101) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
PubChem CID91251101
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)OC(=O)C(c1ccc(C)cc1)C2=O
InChIInChI=1S/C16H19NO4/c1-11-3-5-12(6-4-11)13-14(18)16(21-15(13)19)7-9-17(20-2)10-8-16/h3-6,13H,7-10H2,1-2H3
InChIKeyLHXWATOQGQALKV-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 90771899
3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 91417294
3-(3-bromo-2,6-dimethoxy-4-methylphenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 123318438
3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione
CID 91192432
3-(3-bromo-2,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 66797651
3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123199500
ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66793895
3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 58031200
ethyl 2-[[3-(2,5-dimethylphenyl)-8-methoxy-1-(methoxymethoxy)-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl]oxy]acetate
CID 123708774
4-(4-methylphenyl)-3-(piperidin-1-ylmethyl)-1-oxaspiro[4.5]decan-2-one;hydrochloride
CID 3061095
3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 59584769
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione (CID 91251101) is 8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione is CON1CCC2(CC1)OC(=O)C(c1ccc(C)cc1)C2=O.
What is the InChIKey of 8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The InChIKey is LHXWATOQGQALKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-3-5-12(6-4-11)13-14(18)16(21-15(13)19)7-9-17(20-2)10-8-16/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91251101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).