methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate

C22H18N2O7 — CID 2601270

IUPACmethyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C22H18N2O7/c1-29-21(27)14-7-2-4-9-16(14)23-19(25)13-31-22(28)15-8-3-5-10-17(15)24-20(26)18-11-6-12-30-18/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyFVTJPHMGSVPYCM-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.11
Rot. Bonds7

About methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate

methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate (PubChem CID 2601270) has the molecular formula C22H18N2O7 and a molecular weight of 422.39 g/mol. Its IUPAC name is methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
PubChem CID2601270
Molecular FormulaC22H18N2O7
Molecular Weight422.39 g/mol
Exact Mass422.11
IUPAC Namemethyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C22H18N2O7/c1-29-21(27)14-7-2-4-9-16(14)23-19(25)13-31-22(28)15-8-3-5-10-17(15)24-20(26)18-11-6-12-30-18/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyFVTJPHMGSVPYCM-UHFFFAOYSA-N
XLogP3.11
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2601161
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440371
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7811362
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2116610
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2600751
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 9139731
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119
[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440293
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate (CID 2601270) is methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate?
The InChIKey is FVTJPHMGSVPYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O7/c1-29-21(27)14-7-2-4-9-16(14)23-19(25)13-31-22(28)15-8-3-5-10-17(15)24-20(26)18-11-6-12-30-18/h2-12H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate?
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate has a molecular weight of 422.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 2601270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).