5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione

C20H23NO4 — CID 71602429

IUPAC5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC(C)CC1(C)OC(=O)c2c1ccn(CC(O)c1ccccc1)c2=O
InChIInChI=1S/C20H23NO4/c1-13(2)11-20(3)15-9-10-21(18(23)17(15)19(24)25-20)12-16(22)14-7-5-4-6-8-14/h4-10,13,16,22H,11-12H2,1-3H3
InChIKeyUVJFWHOCZVHPLM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.01
Rot. Bonds5

About 5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione

5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione (PubChem CID 71602429) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione
PubChem CID71602429
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC(C)CC1(C)OC(=O)c2c1ccn(CC(O)c1ccccc1)c2=O
InChIInChI=1S/C20H23NO4/c1-13(2)11-20(3)15-9-10-21(18(23)17(15)19(24)25-20)12-16(22)14-7-5-4-6-8-14/h4-10,13,16,22H,11-12H2,1-3H3
InChIKeyUVJFWHOCZVHPLM-UHFFFAOYSA-N
XLogP3.01
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione (CID 71602429) is 5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione is CC(C)CC1(C)OC(=O)c2c1ccn(CC(O)c1ccccc1)c2=O.
What is the InChIKey of 5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione?
The InChIKey is UVJFWHOCZVHPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(2)11-20(3)15-9-10-21(18(23)17(15)19(24)25-20)12-16(22)14-7-5-4-6-8-14/h4-10,13,16,22H,11-12H2,1-3H3.
What are the key properties of 5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione?
5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione has a molecular weight of 341.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-phenylethyl)-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 71602429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).