N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide

C22H23N3O4 — CID 55614624

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)Cn3ncc(=O)c4ccccc43)c2O1
InChIInChI=1S/C22H23N3O4/c1-22(2)12-15-6-5-9-19(21(15)29-22)28-11-10-23-20(27)14-25-17-8-4-3-7-16(17)18(26)13-24-25/h3-9,13H,10-12,14H2,1-2H3,(H,23,27)
InChIKeyGGZKTJKUCNBQOG-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55614624) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55614624
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)Cn3ncc(=O)c4ccccc43)c2O1
InChIInChI=1S/C22H23N3O4/c1-22(2)12-15-6-5-9-19(21(15)29-22)28-11-10-23-20(27)14-25-17-8-4-3-7-16(17)18(26)13-24-25/h3-9,13H,10-12,14H2,1-2H3,(H,23,27)
InChIKeyGGZKTJKUCNBQOG-UHFFFAOYSA-N
XLogP2.31
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55637212
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 46431564
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 55614848
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55761073
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 46575837
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55852614
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide
CID 91818515
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39285294
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-N',N'-dipropylpentanediamide
CID 56540773

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 55614624) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide is CC1(C)Cc2cccc(OCCNC(=O)Cn3ncc(=O)c4ccccc43)c2O1.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is GGZKTJKUCNBQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-22(2)12-15-6-5-9-19(21(15)29-22)28-11-10-23-20(27)14-25-17-8-4-3-7-16(17)18(26)13-24-25/h3-9,13H,10-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55614624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).