4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid

C23H28N2O6 — CID 18318866

IUPAC4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid
SMILESCN1C(=O)N(CC(CC(O)c2ccc3c4c(oc3c2)CCCC4)C(=O)O)C(=O)C1(C)C
InChIInChI=1S/C23H28N2O6/c1-23(2)21(29)25(22(30)24(23)3)12-14(20(27)28)10-17(26)13-8-9-16-15-6-4-5-7-18(15)31-19(16)11-13/h8-9,11,14,17,26H,4-7,10,12H2,1-3H3,(H,27,28)
InChIKeyQZJXKAAHLCCJBU-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.11
Rot. Bonds6

About 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid

4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid (PubChem CID 18318866) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid
PubChem CID18318866
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid
SMILESCN1C(=O)N(CC(CC(O)c2ccc3c4c(oc3c2)CCCC4)C(=O)O)C(=O)C1(C)C
InChIInChI=1S/C23H28N2O6/c1-23(2)21(29)25(22(30)24(23)3)12-14(20(27)28)10-17(26)13-8-9-16-15-6-4-5-7-18(15)31-19(16)11-13/h8-9,11,14,17,26H,4-7,10,12H2,1-3H3,(H,27,28)
InChIKeyQZJXKAAHLCCJBU-UHFFFAOYSA-N
XLogP3.11
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid 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-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid?
The IUPAC name of 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid (CID 18318866) is 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid.
What is the SMILES notation for 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid?
The canonical SMILES for 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid is CN1C(=O)N(CC(CC(O)c2ccc3c4c(oc3c2)CCCC4)C(=O)O)C(=O)C1(C)C.
What is the InChIKey of 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid?
The InChIKey is QZJXKAAHLCCJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-23(2)21(29)25(22(30)24(23)3)12-14(20(27)28)10-17(26)13-8-9-16-15-6-4-5-7-18(15)31-19(16)11-13/h8-9,11,14,17,26H,4-7,10,12H2,1-3H3,(H,27,28).
What are the key properties of 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid?
4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid has a molecular weight of 428.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid is sourced from PubChem (CID 18318866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).