4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one

C21H29NO5 — CID 101256796

IUPAC4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOCON1C(=O)C(c2c(C)cc(C)cc2C)=C(O)C12CCC(OC)CC2
InChIInChI=1S/C21H29NO5/c1-13-10-14(2)17(15(3)11-13)18-19(23)21(8-6-16(26-5)7-9-21)22(20(18)24)27-12-25-4/h10-11,16,23H,6-9,12H2,1-5H3
InChIKeyNKMHOMCHVTXGHO-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.59
Rot. Bonds5

About 4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one

4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 101256796) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID101256796
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC Name4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOCON1C(=O)C(c2c(C)cc(C)cc2C)=C(O)C12CCC(OC)CC2
InChIInChI=1S/C21H29NO5/c1-13-10-14(2)17(15(3)11-13)18-19(23)21(8-6-16(26-5)7-9-21)22(20(18)24)27-12-25-4/h10-11,16,23H,6-9,12H2,1-5H3
InChIKeyNKMHOMCHVTXGHO-UHFFFAOYSA-N
XLogP3.59
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (CID 101256796) is 4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is COCON1C(=O)C(c2c(C)cc(C)cc2C)=C(O)C12CCC(OC)CC2.
What is the InChIKey of 4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is NKMHOMCHVTXGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO5/c1-13-10-14(2)17(15(3)11-13)18-19(23)21(8-6-16(26-5)7-9-21)22(20(18)24)27-12-25-4/h10-11,16,23H,6-9,12H2,1-5H3.
What are the key properties of 4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-1-(methoxymethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 101256796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).