3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide

C20H20N2O3 — CID 31825043

IUPAC3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)c3cccc(C#N)c3)c2O1
InChIInChI=1S/C20H20N2O3/c1-20(2)12-16-7-4-8-17(18(16)25-20)24-10-9-22-19(23)15-6-3-5-14(11-15)13-21/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyOGXFWVHIYMBCIK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.08
Rot. Bonds5

About 3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide

3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide (PubChem CID 31825043) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
PubChem CID31825043
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)c3cccc(C#N)c3)c2O1
InChIInChI=1S/C20H20N2O3/c1-20(2)12-16-7-4-8-17(18(16)25-20)24-10-9-22-19(23)15-6-3-5-14(11-15)13-21/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyOGXFWVHIYMBCIK-UHFFFAOYSA-N
XLogP3.08
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(acetamidomethyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 39284743
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-oxochromene-3-carboxamide
CID 39285808
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
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(methoxymethyl)benzamide
CID 39283875
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39285294
3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 47031231
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 31824874
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 31826431
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55761073
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-1,3-benzothiazole-6-carboxamide
CID 90578398

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide (CID 31825043) is 3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide is CC1(C)Cc2cccc(OCCNC(=O)c3cccc(C#N)c3)c2O1.
What is the InChIKey of 3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide?
The InChIKey is OGXFWVHIYMBCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-20(2)12-16-7-4-8-17(18(16)25-20)24-10-9-22-19(23)15-6-3-5-14(11-15)13-21/h3-8,11H,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of 3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide?
3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide is sourced from PubChem (CID 31825043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).