N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide

C19H19NO3 — CID 11109646

IUPACN-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(O)cc12
InChIInChI=1S/C19H19NO3/c1-13(21)20-10-9-16-17-12-15(22)7-8-18(17)23-19(16)11-14-5-3-2-4-6-14/h2-8,12,22H,9-11H2,1H3,(H,20,21)
InChIKeyHWDOTPSVGKVJJO-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide

N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide (PubChem CID 11109646) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide
PubChem CID11109646
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(O)cc12
InChIInChI=1S/C19H19NO3/c1-13(21)20-10-9-16-17-12-15(22)7-8-18(17)23-19(16)11-14-5-3-2-4-6-14/h2-8,12,22H,9-11H2,1H3,(H,20,21)
InChIKeyHWDOTPSVGKVJJO-UHFFFAOYSA-N
XLogP3.41
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide (CID 11109646) is N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide is CC(=O)NCCc1c(Cc2ccccc2)oc2ccc(O)cc12.
What is the InChIKey of N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide?
The InChIKey is HWDOTPSVGKVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(21)20-10-9-16-17-12-15(22)7-8-18(17)23-19(16)11-14-5-3-2-4-6-14/h2-8,12,22H,9-11H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide?
N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-5-hydroxy-1-benzofuran-3-yl)ethyl]acetamide is sourced from PubChem (CID 11109646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).