[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate

C20H23N3O6 — CID 55306477

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C20H23N3O6/c1-12(2)18(23-19(26)16-5-4-10-28-16)20(27)29-11-17(25)22-15-8-6-14(7-9-15)21-13(3)24/h4-10,12,18H,11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyFWJXEZBHPJJLLI-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.17
Rot. Bonds8

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 55306477) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID55306477
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C20H23N3O6/c1-12(2)18(23-19(26)16-5-4-10-28-16)20(27)29-11-17(25)22-15-8-6-14(7-9-15)21-13(3)24/h4-10,12,18H,11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyFWJXEZBHPJJLLI-UHFFFAOYSA-N
XLogP2.17
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate with MolForge

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575628
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575614
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566168
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566368
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575597
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55366879
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8576003
[2-(2,6-dichloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575621
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2448157
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565992
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2470214

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate (CID 55306477) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate is CC(=O)Nc1ccc(NC(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is FWJXEZBHPJJLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-12(2)18(23-19(26)16-5-4-10-28-16)20(27)29-11-17(25)22-15-8-6-14(7-9-15)21-13(3)24/h4-10,12,18H,11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 401.42 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 55306477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).