3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide

C14H16N2O3 — CID 44576399

IUPAC3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide
SMILESCNC(=O)c1ccc2occ(CCNC(C)=O)c2c1
InChIInChI=1S/C14H16N2O3/c1-9(17)16-6-5-11-8-19-13-4-3-10(7-12(11)13)14(18)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyFGUNVBUATYZLQB-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.47
Rot. Bonds4

About 3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide

3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide (PubChem CID 44576399) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide
PubChem CID44576399
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide
SMILESCNC(=O)c1ccc2occ(CCNC(C)=O)c2c1
InChIInChI=1S/C14H16N2O3/c1-9(17)16-6-5-11-8-19-13-4-3-10(7-12(11)13)14(18)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyFGUNVBUATYZLQB-UHFFFAOYSA-N
XLogP1.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of 3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide (CID 44576399) is 3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for 3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for 3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide is CNC(=O)c1ccc2occ(CCNC(C)=O)c2c1.
What is the InChIKey of 3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide?
The InChIKey is FGUNVBUATYZLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(17)16-6-5-11-8-19-13-4-3-10(7-12(11)13)14(18)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide?
3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoethyl)-N-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 44576399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).