2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate

C23H22N2O5 — CID 26169071

IUPAC2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate
SMILESO=C(CCC(=O)OCCc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H22N2O5/c26-21(11-12-22(27)30-15-13-17-6-2-1-3-7-17)24-18-8-4-9-19(16-18)25-23(28)20-10-5-14-29-20/h1-10,14,16H,11-13,15H2,(H,24,26)(H,25,28)
InChIKeyDOSVAYBPSWQHBJ-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.04
Rot. Bonds9

About 2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate

2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate (PubChem CID 26169071) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate.

Molecular Properties

Compound Name2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate
PubChem CID26169071
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate
SMILESO=C(CCC(=O)OCCc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H22N2O5/c26-21(11-12-22(27)30-15-13-17-6-2-1-3-7-17)24-18-8-4-9-19(16-18)25-23(28)20-10-5-14-29-20/h1-10,14,16H,11-13,15H2,(H,24,26)(H,25,28)
InChIKeyDOSVAYBPSWQHBJ-UHFFFAOYSA-N
XLogP4.04
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylethyl 4-[[3-(furan-2-carbonylamino)phenyl]carbamothioylamino]-4-oxobutanoate
CID 26169286
2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate
CID 17231357
2-phenylethyl 4-oxo-4-[3-(2-phenoxyethoxy)anilino]butanoate
CID 17123549
2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate
CID 17235638
N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843325
2-phenylethyl 4-oxo-4-[3-(3-phenylpropoxy)anilino]butanoate
CID 17133245
3-phenylpropyl 4-oxo-4-[3-(phenylcarbamoyl)anilino]butanoate
CID 54781205
2-phenylethyl 4-[3-[(3-chloro-4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoate
CID 26166741
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843570
N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 32708292
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoate
CID 17222891

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate?
The IUPAC name of 2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate (CID 26169071) is 2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate.
What is the SMILES notation for 2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate?
The canonical SMILES for 2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate is O=C(CCC(=O)OCCc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of 2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate?
The InChIKey is DOSVAYBPSWQHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c26-21(11-12-22(27)30-15-13-17-6-2-1-3-7-17)24-18-8-4-9-19(16-18)25-23(28)20-10-5-14-29-20/h1-10,14,16H,11-13,15H2,(H,24,26)(H,25,28).
What are the key properties of 2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate?
2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate has a molecular weight of 406.44 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate is sourced from PubChem (CID 26169071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).