3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide

C18H23NO3 — CID 24793805

IUPAC3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCC3CCCCO3)c(C)c2c1
InChIInChI=1S/C18H23NO3/c1-12-6-7-16-15(11-12)13(2)17(22-16)18(20)19-9-8-14-5-3-4-10-21-14/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,19,20)
InChIKeyRNHIRMITPLQJLV-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.74
Rot. Bonds4

About 3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide

3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 24793805) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID24793805
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCC3CCCCO3)c(C)c2c1
InChIInChI=1S/C18H23NO3/c1-12-6-7-16-15(11-12)13(2)17(22-16)18(20)19-9-8-14-5-3-4-10-21-14/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,19,20)
InChIKeyRNHIRMITPLQJLV-UHFFFAOYSA-N
XLogP3.74
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.74
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-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide (CID 24793805) is 3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCCC3CCCCO3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is RNHIRMITPLQJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12-6-7-16-15(11-12)13(2)17(22-16)18(20)19-9-8-14-5-3-4-10-21-14/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24793805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).