5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

C17H21NO4 — CID 18160210

IUPAC5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCC3CCCO3)c(C)c2c1
InChIInChI=1S/C17H21NO4/c1-3-20-12-6-7-15-14(9-12)11(2)16(22-15)17(19)18-10-13-5-4-8-21-13/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,18,19)
InChIKeyKKIJHNYCGXBVKG-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.05
Rot. Bonds5

About 5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 18160210) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID18160210
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCC3CCCO3)c(C)c2c1
InChIInChI=1S/C17H21NO4/c1-3-20-12-6-7-15-14(9-12)11(2)16(22-15)17(19)18-10-13-5-4-8-21-13/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,18,19)
InChIKeyKKIJHNYCGXBVKG-UHFFFAOYSA-N
XLogP3.05
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 18160210) is 5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NCC3CCCO3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is KKIJHNYCGXBVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-3-20-12-6-7-15-14(9-12)11(2)16(22-15)17(19)18-10-13-5-4-8-21-13/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,18,19).
What are the key properties of 5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18160210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).