3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide

C20H21NO4 — CID 30728400

IUPAC3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1oc2ccccc2c1COC
InChIInChI=1S/C20H21NO4/c1-3-12-24-18-11-7-5-9-16(18)21-20(22)19-15(13-23-2)14-8-4-6-10-17(14)25-19/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyLTJQTVYCSVQRMB-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.62
Rot. Bonds7

About 3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 30728400) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID30728400
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1oc2ccccc2c1COC
InChIInChI=1S/C20H21NO4/c1-3-12-24-18-11-7-5-9-16(18)21-20(22)19-15(13-23-2)14-8-4-6-10-17(14)25-19/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyLTJQTVYCSVQRMB-UHFFFAOYSA-N
XLogP4.62
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7770218
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 51114297
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 30729033
N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 34188198
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18112860

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide (CID 30728400) is 3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide is CCCOc1ccccc1NC(=O)c1oc2ccccc2c1COC.
What is the InChIKey of 3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is LTJQTVYCSVQRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-12-24-18-11-7-5-9-16(18)21-20(22)19-15(13-23-2)14-8-4-6-10-17(14)25-19/h4-11H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of 3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 30728400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).