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

C16H19NO5 — CID 90771899

IUPAC8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C2C(=O)OC3(CCN(OC)CC3)C2=O)cc1
InChIInChI=1S/C16H19NO5/c1-20-12-5-3-11(4-6-12)13-14(18)16(22-15(13)19)7-9-17(21-2)10-8-16/h3-6,13H,7-10H2,1-2H3
InChIKeyOYYZOJSBUQFHEF-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.30
Rot. Bonds3

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

8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione (PubChem CID 90771899) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
PubChem CID90771899
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C2C(=O)OC3(CCN(OC)CC3)C2=O)cc1
InChIInChI=1S/C16H19NO5/c1-20-12-5-3-11(4-6-12)13-14(18)16(22-15(13)19)7-9-17(21-2)10-8-16/h3-6,13H,7-10H2,1-2H3
InChIKeyOYYZOJSBUQFHEF-UHFFFAOYSA-N
XLogP1.30
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 91251101
3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 91417294
8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 68774668
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145272
2-(4-methoxyphenyl)-1-oxaspiro[4.5]decan-4-one
CID 71394804
3-(4-methoxyphenyl)-6-methyloxan-2-one
CID 70805918
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911976
1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione
CID 177475011
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione (CID 90771899) is 8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione is COc1ccc(C2C(=O)OC3(CCN(OC)CC3)C2=O)cc1.
What is the InChIKey of 8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The InChIKey is OYYZOJSBUQFHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-20-12-5-3-11(4-6-12)13-14(18)16(22-15(13)19)7-9-17(21-2)10-8-16/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione has a molecular weight of 305.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 90771899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).