[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

C22H18N2O7 — CID 18776833

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H18N2O7/c1-29-21(27)14-8-10-15(11-9-14)23-19(25)13-31-22(28)16-5-2-3-6-17(16)24-20(26)18-7-4-12-30-18/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyXNMVSGPUBNDKGL-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.11
Rot. Bonds7

About [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 18776833) has the molecular formula C22H18N2O7 and a molecular weight of 422.39 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
PubChem CID18776833
Molecular FormulaC22H18N2O7
Molecular Weight422.39 g/mol
Exact Mass422.11
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H18N2O7/c1-29-21(27)14-8-10-15(11-9-14)23-19(25)13-31-22(28)16-5-2-3-6-17(16)24-20(26)18-7-4-12-30-18/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyXNMVSGPUBNDKGL-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

methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150083
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2600751
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2601161
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3998206

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (CID 18776833) is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is XNMVSGPUBNDKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O7/c1-29-21(27)14-8-10-15(11-9-14)23-19(25)13-31-22(28)16-5-2-3-6-17(16)24-20(26)18-7-4-12-30-18/h2-12H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)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 [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 18776833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).