1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

C23H41N3O7 — CID 154546269

IUPAC1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(C)c(=O)n(CC(O)COCC(C)(C)CC(C)(C)COCC(O)CC)c1=O
InChIInChI=1S/C23H41N3O7/c1-8-10-25-19(29)24(7)20(30)26(21(25)31)11-18(28)13-33-16-23(5,6)14-22(3,4)15-32-12-17(27)9-2/h8,17-18,27-28H,1,9-16H2,2-7H3
InChIKeyFFECDRSCZPJDKK-UHFFFAOYSA-N
MW471.60 g/mol
LogP0.50
Rot. Bonds15

About 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 154546269) has the molecular formula C23H41N3O7 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
PubChem CID154546269
Molecular FormulaC23H41N3O7
Molecular Weight471.60 g/mol
Exact Mass471.29
IUPAC Name1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(C)c(=O)n(CC(O)COCC(C)(C)CC(C)(C)COCC(O)CC)c1=O
InChIInChI=1S/C23H41N3O7/c1-8-10-25-19(29)24(7)20(30)26(21(25)31)11-18(28)13-33-16-23(5,6)14-22(3,4)15-32-12-17(27)9-2/h8,17-18,27-28H,1,9-16H2,2-7H3
InChIKeyFFECDRSCZPJDKK-UHFFFAOYSA-N
XLogP0.50
TPSA124.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione 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 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione (CID 154546269) is 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(C)c(=O)n(CC(O)COCC(C)(C)CC(C)(C)COCC(O)CC)c1=O.
What is the InChIKey of 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FFECDRSCZPJDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O7/c1-8-10-25-19(29)24(7)20(30)26(21(25)31)11-18(28)13-33-16-23(5,6)14-22(3,4)15-32-12-17(27)9-2/h8,17-18,27-28H,1,9-16H2,2-7H3.
What are the key properties of 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 471.60 g/mol, XLogP of 0.50, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[5-(2-hydroxybutoxy)-2,2,4,4-tetramethylpentoxy]propyl]-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 154546269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).