5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

C18H19NO4 — CID 70681763

IUPAC5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCOc1ccc(CCn2ccc3c(c2=O)C(=O)OC3(C)C)cc1
InChIInChI=1S/C18H19NO4/c1-18(2)14-9-11-19(16(20)15(14)17(21)23-18)10-8-12-4-6-13(22-3)7-5-12/h4-7,9,11H,8,10H2,1-3H3
InChIKeyGHQSTDZOADKDRE-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.51
Rot. Bonds4

About 5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 70681763) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
PubChem CID70681763
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCOc1ccc(CCn2ccc3c(c2=O)C(=O)OC3(C)C)cc1
InChIInChI=1S/C18H19NO4/c1-18(2)14-9-11-19(16(20)15(14)17(21)23-18)10-8-12-4-6-13(22-3)7-5-12/h4-7,9,11H,8,10H2,1-3H3
InChIKeyGHQSTDZOADKDRE-UHFFFAOYSA-N
XLogP2.51
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 114760943
1-[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carbothioamide
CID 107017852
3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one
CID 101496392
5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 65444998
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
CID 82897744
4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione
CID 55237705
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068
3-hydroxy-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110580912
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423901

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (CID 70681763) is 5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is COc1ccc(CCn2ccc3c(c2=O)C(=O)OC3(C)C)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is GHQSTDZOADKDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-18(2)14-9-11-19(16(20)15(14)17(21)23-18)10-8-12-4-6-13(22-3)7-5-12/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 313.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 70681763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).