2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide

C19H20N2O2 — CID 78770799

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc2occ(CC(=O)N(C)Cc3cccnc3)c2cc1C
InChIInChI=1S/C19H20N2O2/c1-13-7-17-16(12-23-18(17)8-14(13)2)9-19(22)21(3)11-15-5-4-6-20-10-15/h4-8,10,12H,9,11H2,1-3H3
InChIKeyJENKDILJWRSZRS-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.65
Rot. Bonds4

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 78770799) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID78770799
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc2occ(CC(=O)N(C)Cc3cccnc3)c2cc1C
InChIInChI=1S/C19H20N2O2/c1-13-7-17-16(12-23-18(17)8-14(13)2)9-19(22)21(3)11-15-5-4-6-20-10-15/h4-8,10,12H,9,11H2,1-3H3
InChIKeyJENKDILJWRSZRS-UHFFFAOYSA-N
XLogP3.65
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 38041694
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18872237
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 17395817
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide (CID 78770799) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide is Cc1cc2occ(CC(=O)N(C)Cc3cccnc3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JENKDILJWRSZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-7-17-16(12-23-18(17)8-14(13)2)9-19(22)21(3)11-15-5-4-6-20-10-15/h4-8,10,12H,9,11H2,1-3H3.
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 78770799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).