methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate

C19H17NO5 — CID 113200071

IUPACmethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c3c(cc4c2OCC4)OCC3)cc1
InChIInChI=1S/C19H17NO5/c1-23-19(22)11-2-4-13(5-3-11)20-18(21)16-14-7-9-24-15(14)10-12-6-8-25-17(12)16/h2-5,10H,6-9H2,1H3,(H,20,21)
InChIKeyQVFCTJLYXSZNIB-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.60
Rot. Bonds3

About methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate

methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate (PubChem CID 113200071) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate
PubChem CID113200071
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namemethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c3c(cc4c2OCC4)OCC3)cc1
InChIInChI=1S/C19H17NO5/c1-23-19(22)11-2-4-13(5-3-11)20-18(21)16-14-7-9-24-15(14)10-12-6-8-25-17(12)16/h2-5,10H,6-9H2,1H3,(H,20,21)
InChIKeyQVFCTJLYXSZNIB-UHFFFAOYSA-N
XLogP2.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate with MolForge

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Related Compounds

N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200012
N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200075
N-(3,4-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200100
N-(4-piperidin-1-ylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200077
N-(3,5-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200103
N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200045
N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200025
N-[(4-methoxyphenyl)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113199957
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-ylcarbamoylamino)benzoate
CID 113199710
3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095413
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate?
The IUPAC name of methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate (CID 113200071) is methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2c3c(cc4c2OCC4)OCC3)cc1.
What is the InChIKey of methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate?
The InChIKey is QVFCTJLYXSZNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-19(22)11-2-4-13(5-3-11)20-18(21)16-14-7-9-24-15(14)10-12-6-8-25-17(12)16/h2-5,10H,6-9H2,1H3,(H,20,21).
What are the key properties of methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate?
methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate has a molecular weight of 339.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate is sourced from PubChem (CID 113200071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).