2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide

C21H22N2O4 — CID 126228400

IUPAC2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C21H22N2O4/c22-18(26)11-27-17-10-2-1-5-12(17)19-20-13(6-3-8-15(20)24)23-14-7-4-9-16(25)21(14)19/h1-2,5,10,19,23H,3-4,6-9,11H2,(H2,22,26)
InChIKeyBBFGEOLKBJVWGK-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.25
Rot. Bonds4

About 2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide

2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide (PubChem CID 126228400) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide
PubChem CID126228400
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C21H22N2O4/c22-18(26)11-27-17-10-2-1-5-12(17)19-20-13(6-3-8-15(20)24)23-14-7-4-9-16(25)21(14)19/h1-2,5,10,19,23H,3-4,6-9,11H2,(H2,22,26)
InChIKeyBBFGEOLKBJVWGK-UHFFFAOYSA-N
XLogP2.25
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide?
The IUPAC name of 2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide (CID 126228400) is 2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide?
The canonical SMILES for 2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide is NC(=O)COc1ccccc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2.
What is the InChIKey of 2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide?
The InChIKey is BBFGEOLKBJVWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c22-18(26)11-27-17-10-2-1-5-12(17)19-20-13(6-3-8-15(20)24)23-14-7-4-9-16(25)21(14)19/h1-2,5,10,19,23H,3-4,6-9,11H2,(H2,22,26).
What are the key properties of 2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide?
2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide is sourced from PubChem (CID 126228400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).