3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide

C19H19NO5 — CID 113095413

IUPAC3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2c3c(cc4c2OCC4)OCC3)cc1OC
InChIInChI=1S/C19H19NO5/c1-22-14-4-3-12(10-16(14)23-2)19(21)20-17-13-6-8-24-15(13)9-11-5-7-25-18(11)17/h3-4,9-10H,5-8H2,1-2H3,(H,20,21)
InChIKeyRJFWHPUBBSDDIZ-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.83
Rot. Bonds4

About 3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide

3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide (PubChem CID 113095413) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
PubChem CID113095413
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2c3c(cc4c2OCC4)OCC3)cc1OC
InChIInChI=1S/C19H19NO5/c1-22-14-4-3-12(10-16(14)23-2)19(21)20-17-13-6-8-24-15(13)9-11-5-7-25-18(11)17/h3-4,9-10H,5-8H2,1-2H3,(H,20,21)
InChIKeyRJFWHPUBBSDDIZ-UHFFFAOYSA-N
XLogP2.83
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095438
3,4-dichloro-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095408
1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199696
N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropanecarboxamide
CID 113095385
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate
CID 113199710
1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199612
methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate
CID 113200071
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
CID 113095488
4-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095281
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986293
N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199510

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide (CID 113095413) is 3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide is COc1ccc(C(=O)Nc2c3c(cc4c2OCC4)OCC3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide?
The InChIKey is RJFWHPUBBSDDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-14-4-3-12(10-16(14)23-2)19(21)20-17-13-6-8-24-15(13)9-11-5-7-25-18(11)17/h3-4,9-10H,5-8H2,1-2H3,(H,20,21).
What are the key properties of 3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide?
3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide has a molecular weight of 341.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide is sourced from PubChem (CID 113095413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).