methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate

C19H15NO7 — CID 7734308

IUPACmethyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(NC(=O)c3ccco3)cc2)o1
InChIInChI=1S/C19H15NO7/c1-24-19(23)16-9-8-14(27-16)11-26-18(22)12-4-6-13(7-5-12)20-17(21)15-3-2-10-25-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyQIDKNWXGZLMVSF-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.27
Rot. Bonds6

About methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate

methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate (PubChem CID 7734308) has the molecular formula C19H15NO7 and a molecular weight of 369.33 g/mol. Its IUPAC name is methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate
PubChem CID7734308
Molecular FormulaC19H15NO7
Molecular Weight369.33 g/mol
Exact Mass369.08
IUPAC Namemethyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(NC(=O)c3ccco3)cc2)o1
InChIInChI=1S/C19H15NO7/c1-24-19(23)16-9-8-14(27-16)11-26-18(22)12-4-6-13(7-5-12)20-17(21)15-3-2-10-25-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyQIDKNWXGZLMVSF-UHFFFAOYSA-N
XLogP3.27
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate
CID 7909054
[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209
(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate
CID 7734391
2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
CID 17296731
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
(5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate
CID 35277569
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909190

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate (CID 7734308) is methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2ccc(NC(=O)c3ccco3)cc2)o1.
What is the InChIKey of methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is QIDKNWXGZLMVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO7/c1-24-19(23)16-9-8-14(27-16)11-26-18(22)12-4-6-13(7-5-12)20-17(21)15-3-2-10-25-15/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 369.33 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 7734308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).