N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide

C19H20N2O3 — CID 11088627

IUPACN-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide
SMILESCOc1ccc2oc(Cc3cccnc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C19H20N2O3/c1-13(22)21-9-7-16-17-11-15(23-2)5-6-18(17)24-19(16)10-14-4-3-8-20-12-14/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,21,22)
InChIKeyGGESSWUOGJXGCX-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.11
Rot. Bonds6

About N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide

N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide (PubChem CID 11088627) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide
PubChem CID11088627
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide
SMILESCOc1ccc2oc(Cc3cccnc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C19H20N2O3/c1-13(22)21-9-7-16-17-11-15(23-2)5-6-18(17)24-19(16)10-14-4-3-8-20-12-14/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,21,22)
InChIKeyGGESSWUOGJXGCX-UHFFFAOYSA-N
XLogP3.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide (CID 11088627) is N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide is COc1ccc2oc(Cc3cccnc3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide?
The InChIKey is GGESSWUOGJXGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(22)21-9-7-16-17-11-15(23-2)5-6-18(17)24-19(16)10-14-4-3-8-20-12-14/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide?
N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide is sourced from PubChem (CID 11088627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).