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

C22H20N2O6 — CID 7150083

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)cc1
InChIInChI=1S/C22H20N2O6/c1-28-21(26)15-8-10-16(11-9-15)24-20(25)14-30-22(27)18-6-2-3-7-19(18)23-13-17-5-4-12-29-17/h2-12,23H,13-14H2,1H3,(H,24,25)
InChIKeySJLYTTWMBWPSPZ-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.47
Rot. Bonds8

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

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 7150083) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID7150083
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)cc1
InChIInChI=1S/C22H20N2O6/c1-28-21(26)15-8-10-16(11-9-15)24-20(25)14-30-22(27)18-6-2-3-7-19(18)23-13-17-5-4-12-29-17/h2-12,23H,13-14H2,1H3,(H,24,25)
InChIKeySJLYTTWMBWPSPZ-UHFFFAOYSA-N
XLogP3.47
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224219
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 4840922
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224212
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 55465471
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613689
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 16505050
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7256849

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (CID 7150083) is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is SJLYTTWMBWPSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-28-21(26)15-8-10-16(11-9-15)24-20(25)14-30-22(27)18-6-2-3-7-19(18)23-13-17-5-4-12-29-17/h2-12,23H,13-14H2,1H3,(H,24,25).
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 408.41 g/mol, XLogP of 3.47, 8 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-ylmethylamino)benzoate is sourced from PubChem (CID 7150083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).