8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione

C18H23NO4 — CID 68774668

IUPAC8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)OC(=O)C(c1cc(C)c(C)cc1C)C2=O
InChIInChI=1S/C18H23NO4/c1-11-9-13(3)14(10-12(11)2)15-16(20)18(23-17(15)21)5-7-19(22-4)8-6-18/h9-10,15H,5-8H2,1-4H3
InChIKeyXNNORYQQOMAEBV-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.22
Rot. Bonds2

About 8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione

8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione (PubChem CID 68774668) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
PubChem CID68774668
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)OC(=O)C(c1cc(C)c(C)cc1C)C2=O
InChIInChI=1S/C18H23NO4/c1-11-9-13(3)14(10-12(11)2)15-16(20)18(23-17(15)21)5-7-19(22-4)8-6-18/h9-10,15H,5-8H2,1-4H3
InChIKeyXNNORYQQOMAEBV-UHFFFAOYSA-N
XLogP2.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione (CID 68774668) is 8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione is CON1CCC2(CC1)OC(=O)C(c1cc(C)c(C)cc1C)C2=O.
What is the InChIKey of 8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The InChIKey is XNNORYQQOMAEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11-9-13(3)14(10-12(11)2)15-16(20)18(23-17(15)21)5-7-19(22-4)8-6-18/h9-10,15H,5-8H2,1-4H3.
What are the key properties of 8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione has a molecular weight of 317.39 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 68774668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).