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

C18H18N2O4 — CID 2464086

IUPAC3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2ccc(OC)nc2)oc2ccccc12
InChIInChI=1S/C18H18N2O4/c1-3-23-11-14-13-6-4-5-7-15(13)24-17(14)18(21)20-12-8-9-16(22-2)19-10-12/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyMQJNWGADTRXORB-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.63
Rot. Bonds6

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

3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 2464086) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID2464086
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2ccc(OC)nc2)oc2ccccc12
InChIInChI=1S/C18H18N2O4/c1-3-23-11-14-13-6-4-5-7-15(13)24-17(14)18(21)20-12-8-9-16(22-2)19-10-12/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyMQJNWGADTRXORB-UHFFFAOYSA-N
XLogP3.63
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide (CID 2464086) is 3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)Nc2ccc(OC)nc2)oc2ccccc12.
What is the InChIKey of 3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is MQJNWGADTRXORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-23-11-14-13-6-4-5-7-15(13)24-17(14)18(21)20-12-8-9-16(22-2)19-10-12/h4-10H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2464086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).