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

C25H29NO3 — CID 54692186

IUPAC4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(-c3ccccc3)c1C)=C2O
InChIInChI=1S/C25H29NO3/c1-15-14-16(2)21(17(3)20(15)18-8-6-5-7-9-18)22-23(27)25(26-24(22)28)12-10-19(29-4)11-13-25/h5-9,14,19,27H,10-13H2,1-4H3,(H,26,28)
InChIKeyIYVPLYOHMSXICY-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.01
Rot. Bonds3

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

4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 54692186) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID54692186
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(-c3ccccc3)c1C)=C2O
InChIInChI=1S/C25H29NO3/c1-15-14-16(2)21(17(3)20(15)18-8-6-5-7-9-18)22-23(27)25(26-24(22)28)12-10-19(29-4)11-13-25/h5-9,14,19,27H,10-13H2,1-4H3,(H,26,28)
InChIKeyIYVPLYOHMSXICY-UHFFFAOYSA-N
XLogP5.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (CID 54692186) is 4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is COC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(-c3ccccc3)c1C)=C2O.
What is the InChIKey of 4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is IYVPLYOHMSXICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-15-14-16(2)21(17(3)20(15)18-8-6-5-7-9-18)22-23(27)25(26-24(22)28)12-10-19(29-4)11-13-25/h5-9,14,19,27H,10-13H2,1-4H3,(H,26,28).
What are the key properties of 4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 391.51 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-3-(2,4,6-trimethyl-3-phenylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 54692186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).