[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate

C23H22N2O6 — CID 46791499

IUPAC[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
SMILESCCOc1ccccc1NC(=O)C(OC(=O)CNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C23H22N2O6/c1-2-29-18-12-7-6-11-17(18)25-23(28)21(16-9-4-3-5-10-16)31-20(26)15-24-22(27)19-13-8-14-30-19/h3-14,21H,2,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyQYQACEOHUUNQQN-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.33
Rot. Bonds9

About [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate

[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 46791499) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID46791499
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
SMILESCCOc1ccccc1NC(=O)C(OC(=O)CNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C23H22N2O6/c1-2-29-18-12-7-6-11-17(18)25-23(28)21(16-9-4-3-5-10-16)31-20(26)15-24-22(27)19-13-8-14-30-19/h3-14,21H,2,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyQYQACEOHUUNQQN-UHFFFAOYSA-N
XLogP3.33
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate 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-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 55318659
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
CID 42963745
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534264
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 2092525
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7709454
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(hydroxymethyl)benzoate
CID 2537822
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644172
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)propanoate
CID 46795944

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate (CID 46791499) is [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate is CCOc1ccccc1NC(=O)C(OC(=O)CNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is QYQACEOHUUNQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-2-29-18-12-7-6-11-17(18)25-23(28)21(16-9-4-3-5-10-16)31-20(26)15-24-22(27)19-13-8-14-30-19/h3-14,21H,2,15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 422.44 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 46791499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).