[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

C22H20N4O6 — CID 4840922

IUPAC[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESNC(=O)c1cc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)cc(C(N)=O)c1
InChIInChI=1S/C22H20N4O6/c23-20(28)13-8-14(21(24)29)10-15(9-13)26-19(27)12-32-22(30)17-5-1-2-6-18(17)25-11-16-4-3-7-31-16/h1-10,25H,11-12H2,(H2,23,28)(H2,24,29)(H,26,27)
InChIKeyNWHLERZZHTXQPL-UHFFFAOYSA-N
MW436.42 g/mol
LogP1.88
Rot. Bonds9

About [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 4840922) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID4840922
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC Name[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESNC(=O)c1cc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)cc(C(N)=O)c1
InChIInChI=1S/C22H20N4O6/c23-20(28)13-8-14(21(24)29)10-15(9-13)26-19(27)12-32-22(30)17-5-1-2-6-18(17)25-11-16-4-3-7-31-16/h1-10,25H,11-12H2,(H2,23,28)(H2,24,29)(H,26,27)
InChIKeyNWHLERZZHTXQPL-UHFFFAOYSA-N
XLogP1.88
TPSA166.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150083
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224212
[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-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224219
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7256849
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7602503
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 55465471

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (CID 4840922) is [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is NC(=O)c1cc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)cc(C(N)=O)c1.
What is the InChIKey of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is NWHLERZZHTXQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6/c23-20(28)13-8-14(21(24)29)10-15(9-13)26-19(27)12-32-22(30)17-5-1-2-6-18(17)25-11-16-4-3-7-31-16/h1-10,25H,11-12H2,(H2,23,28)(H2,24,29)(H,26,27).
What are the key properties of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 436.42 g/mol, XLogP of 1.88, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 4840922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).