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

C19H18N2O5 — CID 113199710

IUPACmethyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2c3c(cc4c2OCC4)OCC3)c1
InChIInChI=1S/C19H18N2O5/c1-24-18(22)12-3-2-4-13(9-12)20-19(23)21-16-14-6-8-25-15(14)10-11-5-7-26-17(11)16/h2-4,9-10H,5-8H2,1H3,(H2,20,21,23)
InChIKeyGVDZZGWGYZLJQZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.99
Rot. Bonds3

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

methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate (PubChem CID 113199710) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate
PubChem CID113199710
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namemethyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2c3c(cc4c2OCC4)OCC3)c1
InChIInChI=1S/C19H18N2O5/c1-24-18(22)12-3-2-4-13(9-12)20-19(23)21-16-14-6-8-25-15(14)10-11-5-7-26-17(11)16/h2-4,9-10H,5-8H2,1H3,(H2,20,21,23)
InChIKeyGVDZZGWGYZLJQZ-UHFFFAOYSA-N
XLogP2.99
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
methyl 3-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)benzoate
CID 110699611
methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate
CID 113200071
3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095413
1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199636
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960
N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200012
methyl 3-(carbamoylamino)benzoate
CID 2822841
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-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 113217836
methyl 3-(furan-2-ylcarbamoylamino)benzoate
CID 108868628

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate (CID 113199710) is methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate is COC(=O)c1cccc(NC(=O)Nc2c3c(cc4c2OCC4)OCC3)c1.
What is the InChIKey of methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate?
The InChIKey is GVDZZGWGYZLJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-24-18(22)12-3-2-4-13(9-12)20-19(23)21-16-14-6-8-25-15(14)10-11-5-7-26-17(11)16/h2-4,9-10H,5-8H2,1H3,(H2,20,21,23).
What are the key properties of methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate?
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate has a molecular weight of 354.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate is sourced from PubChem (CID 113199710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).