5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide

C19H19NO3 — CID 782051

IUPAC5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
SMILESCCOc1ccc2oc(-c3ccccc3)c(C(=O)N(C)C)c2c1
InChIInChI=1S/C19H19NO3/c1-4-22-14-10-11-16-15(12-14)17(19(21)20(2)3)18(23-16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeyZMIWWUATAGRZAL-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.20
Rot. Bonds4

About 5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide

5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide (PubChem CID 782051) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
PubChem CID782051
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
SMILESCCOc1ccc2oc(-c3ccccc3)c(C(=O)N(C)C)c2c1
InChIInChI=1S/C19H19NO3/c1-4-22-14-10-11-16-15(12-14)17(19(21)20(2)3)18(23-16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeyZMIWWUATAGRZAL-UHFFFAOYSA-N
XLogP4.20
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide (CID 782051) is 5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide is CCOc1ccc2oc(-c3ccccc3)c(C(=O)N(C)C)c2c1.
What is the InChIKey of 5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is ZMIWWUATAGRZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-22-14-10-11-16-15(12-14)17(19(21)20(2)3)18(23-16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3.
What are the key properties of 5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 782051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).