2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide

C13H17NO2 — CID 20696528

IUPAC2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide
SMILESCCC1(C)Cc2c(C(N)=O)ccc(C)c2O1
InChIInChI=1S/C13H17NO2/c1-4-13(3)7-10-9(12(14)15)6-5-8(2)11(10)16-13/h5-6H,4,7H2,1-3H3,(H2,14,15)
InChIKeyJNURHCWSZHXZRU-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.20
Rot. Bonds2

About 2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide

2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide (PubChem CID 20696528) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide
PubChem CID20696528
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide
SMILESCCC1(C)Cc2c(C(N)=O)ccc(C)c2O1
InChIInChI=1S/C13H17NO2/c1-4-13(3)7-10-9(12(14)15)6-5-8(2)11(10)16-13/h5-6H,4,7H2,1-3H3,(H2,14,15)
InChIKeyJNURHCWSZHXZRU-UHFFFAOYSA-N
XLogP2.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide?
The IUPAC name of 2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide (CID 20696528) is 2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide.
What is the SMILES notation for 2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide?
The canonical SMILES for 2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide is CCC1(C)Cc2c(C(N)=O)ccc(C)c2O1.
What is the InChIKey of 2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide?
The InChIKey is JNURHCWSZHXZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-13(3)7-10-9(12(14)15)6-5-8(2)11(10)16-13/h5-6H,4,7H2,1-3H3,(H2,14,15).
What are the key properties of 2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide?
2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-carboxamide is sourced from PubChem (CID 20696528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).