4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

C22H30N2O5 — CID 58428076

IUPAC4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)C(O)=C(c1cc(C)c(C)cc1C)C(=O)N2OC1CCCO1
InChIInChI=1S/C22H30N2O5/c1-14-12-16(3)17(13-15(14)2)19-20(25)22(7-9-23(27-4)10-8-22)24(21(19)26)29-18-6-5-11-28-18/h12-13,18,25H,5-11H2,1-4H3
InChIKeyUQGXVDCUBBGKTP-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.19
Rot. Bonds4

About 4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 58428076) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID58428076
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)C(O)=C(c1cc(C)c(C)cc1C)C(=O)N2OC1CCCO1
InChIInChI=1S/C22H30N2O5/c1-14-12-16(3)17(13-15(14)2)19-20(25)22(7-9-23(27-4)10-8-22)24(21(19)26)29-18-6-5-11-28-18/h12-13,18,25H,5-11H2,1-4H3
InChIKeyUQGXVDCUBBGKTP-UHFFFAOYSA-N
XLogP3.19
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 58428076) is 4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is CON1CCC2(CC1)C(O)=C(c1cc(C)c(C)cc1C)C(=O)N2OC1CCCO1.
What is the InChIKey of 4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is UQGXVDCUBBGKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-14-12-16(3)17(13-15(14)2)19-20(25)22(7-9-23(27-4)10-8-22)24(21(19)26)29-18-6-5-11-28-18/h12-13,18,25H,5-11H2,1-4H3.
What are the key properties of 4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 402.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58428076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).