methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate

C20H17NO5 — CID 112787723

IUPACmethyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C20H17NO5/c1-24-20(23)15-6-4-14(5-7-15)13-26-17-10-8-16(9-11-17)21-19(22)18-3-2-12-25-18/h2-12H,13H2,1H3,(H,21,22)
InChIKeyVYYXPDGMRAWTFL-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.90
Rot. Bonds6

About methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate

methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate (PubChem CID 112787723) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
PubChem CID112787723
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Namemethyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C20H17NO5/c1-24-20(23)15-6-4-14(5-7-15)13-26-17-10-8-16(9-11-17)21-19(22)18-3-2-12-25-18/h2-12H,13H2,1H3,(H,21,22)
InChIKeyVYYXPDGMRAWTFL-UHFFFAOYSA-N
XLogP3.90
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate
CID 7734308
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
methyl 4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777389
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226
N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide
CID 58854780
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
methyl 4-[[4-[(E)-2-cyano-3-(furan-2-yl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 9335594
5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 51998966

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate (CID 112787723) is methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccc(NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate?
The InChIKey is VYYXPDGMRAWTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-24-20(23)15-6-4-14(5-7-15)13-26-17-10-8-16(9-11-17)21-19(22)18-3-2-12-25-18/h2-12H,13H2,1H3,(H,21,22).
What are the key properties of methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate?
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate has a molecular weight of 351.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate is sourced from PubChem (CID 112787723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).