4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

C21H30N2O4 — CID 121297103

IUPAC4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCOCCCN1C(=O)C(c2c(C)cc(C)cc2C)=C(O)C12CCN(O)CC2
InChIInChI=1S/C21H30N2O4/c1-14-12-15(2)17(16(3)13-14)18-19(24)21(6-9-22(26)10-7-21)23(20(18)25)8-5-11-27-4/h12-13,24,26H,5-11H2,1-4H3
InChIKeyGMJXXJMVWRHQBV-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.98
Rot. Bonds5

About 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 121297103) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID121297103
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCOCCCN1C(=O)C(c2c(C)cc(C)cc2C)=C(O)C12CCN(O)CC2
InChIInChI=1S/C21H30N2O4/c1-14-12-15(2)17(16(3)13-14)18-19(24)21(6-9-22(26)10-7-21)23(20(18)25)8-5-11-27-4/h12-13,24,26H,5-11H2,1-4H3
InChIKeyGMJXXJMVWRHQBV-UHFFFAOYSA-N
XLogP2.98
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 121297103) is 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is COCCCN1C(=O)C(c2c(C)cc(C)cc2C)=C(O)C12CCN(O)CC2.
What is the InChIKey of 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is GMJXXJMVWRHQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-14-12-15(2)17(16(3)13-14)18-19(24)21(6-9-22(26)10-7-21)23(20(18)25)8-5-11-27-4/h12-13,24,26H,5-11H2,1-4H3.
What are the key properties of 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 374.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 121297103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).