N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide

C18H18N2O4 — CID 46883885

IUPACN-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1cc2cc(OC)ccc2o1)c1ccc(OC)nc1
InChIInChI=1S/C18H18N2O4/c1-4-20(13-5-8-17(23-3)19-11-13)18(21)16-10-12-9-14(22-2)6-7-15(12)24-16/h5-11H,4H2,1-3H3
InChIKeyATBXVWAUNHCVGT-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.51
Rot. Bonds5

About N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide

N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 46883885) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID46883885
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1cc2cc(OC)ccc2o1)c1ccc(OC)nc1
InChIInChI=1S/C18H18N2O4/c1-4-20(13-5-8-17(23-3)19-11-13)18(21)16-10-12-9-14(22-2)6-7-15(12)24-16/h5-11H,4H2,1-3H3
InChIKeyATBXVWAUNHCVGT-UHFFFAOYSA-N
XLogP3.51
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide (CID 46883885) is N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide is CCN(C(=O)c1cc2cc(OC)ccc2o1)c1ccc(OC)nc1.
What is the InChIKey of N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is ATBXVWAUNHCVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-4-20(13-5-8-17(23-3)19-11-13)18(21)16-10-12-9-14(22-2)6-7-15(12)24-16/h5-11H,4H2,1-3H3.
What are the key properties of N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46883885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).