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

C24H30N2O6 — CID 18318860

IUPAC4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid
SMILESCN1C(=O)N(CCC(CC(O)c2ccc3c4c(oc3c2)CCCC4)C(=O)O)C(=O)C1(C)C
InChIInChI=1S/C24H30N2O6/c1-24(2)22(30)26(23(31)25(24)3)11-10-15(21(28)29)12-18(27)14-8-9-17-16-6-4-5-7-19(16)32-20(17)13-14/h8-9,13,15,18,27H,4-7,10-12H2,1-3H3,(H,28,29)
InChIKeyMUCKQPGHYQCOSG-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.50
Rot. Bonds7

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

4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid (PubChem CID 18318860) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid
PubChem CID18318860
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid
SMILESCN1C(=O)N(CCC(CC(O)c2ccc3c4c(oc3c2)CCCC4)C(=O)O)C(=O)C1(C)C
InChIInChI=1S/C24H30N2O6/c1-24(2)22(30)26(23(31)25(24)3)11-10-15(21(28)29)12-18(27)14-8-9-17-16-6-4-5-7-19(16)32-20(17)13-14/h8-9,13,15,18,27H,4-7,10-12H2,1-3H3,(H,28,29)
InChIKeyMUCKQPGHYQCOSG-UHFFFAOYSA-N
XLogP3.50
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid?
The IUPAC name of 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid (CID 18318860) is 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid.
What is the SMILES notation for 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid?
The canonical SMILES for 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid is CN1C(=O)N(CCC(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-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid?
The InChIKey is MUCKQPGHYQCOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-24(2)22(30)26(23(31)25(24)3)11-10-15(21(28)29)12-18(27)14-8-9-17-16-6-4-5-7-19(16)32-20(17)13-14/h8-9,13,15,18,27H,4-7,10-12H2,1-3H3,(H,28,29).
What are the key properties of 4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid?
4-hydroxy-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)-2-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid has a molecular weight of 442.51 g/mol, XLogP of 3.50, 7 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-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]butanoic acid is sourced from PubChem (CID 18318860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).