methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate

C22H20N2O6 — CID 26332211

IUPACmethyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccccc2OC)cc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H20N2O6/c1-28-18-7-4-3-6-17(18)20(25)23-13-14-10-15(22(27)29-2)12-16(11-14)24-21(26)19-8-5-9-30-19/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQMLMGIOXOUQYIJ-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.26
Rot. Bonds7

About methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate

methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate (PubChem CID 26332211) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate
PubChem CID26332211
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Namemethyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccccc2OC)cc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H20N2O6/c1-28-18-7-4-3-6-17(18)20(25)23-13-14-10-15(22(27)29-2)12-16(11-14)24-21(26)19-8-5-9-30-19/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQMLMGIOXOUQYIJ-UHFFFAOYSA-N
XLogP3.26
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate with MolForge

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Related Compounds

dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226
methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 42366604
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
methyl 3-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]-5-(furan-2-carbonylamino)benzoate
CID 42370507
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N-[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17440926
N-[3-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111216112
N-[(3-carbamothioylphenyl)methyl]-2-methoxybenzamide
CID 62311612
N-[3-[[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111201000
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 17200115
N-[6-[(2-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127300
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate?
The IUPAC name of methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate (CID 26332211) is methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate?
The canonical SMILES for methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate is COC(=O)c1cc(CNC(=O)c2ccccc2OC)cc(NC(=O)c2ccco2)c1.
What is the InChIKey of methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate?
The InChIKey is QMLMGIOXOUQYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-28-18-7-4-3-6-17(18)20(25)23-13-14-10-15(22(27)29-2)12-16(11-14)24-21(26)19-8-5-9-30-19/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate?
methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate has a molecular weight of 408.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate is sourced from PubChem (CID 26332211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).