3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide

C17H21NO3 — CID 24817645

IUPAC3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC3CCOCC3)c(C)c2c1
InChIInChI=1S/C17H21NO3/c1-11-3-4-15-14(9-11)12(2)16(21-15)17(19)18-10-13-5-7-20-8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyWAUDWMKNRYNKBY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.21
Rot. Bonds3

About 3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide

3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 24817645) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID24817645
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC3CCOCC3)c(C)c2c1
InChIInChI=1S/C17H21NO3/c1-11-3-4-15-14(9-11)12(2)16(21-15)17(19)18-10-13-5-7-20-8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyWAUDWMKNRYNKBY-UHFFFAOYSA-N
XLogP3.21
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 24817645) is 3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCC3CCOCC3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is WAUDWMKNRYNKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-3-4-15-14(9-11)12(2)16(21-15)17(19)18-10-13-5-7-20-8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24817645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).