[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate

C28H23NO6 — CID 16572310

IUPAC[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCOc1ccc(NC(=O)C(OC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c2ccccc2)cc1
InChIInChI=1S/C28H23NO6/c1-18(30)19-8-10-20(11-9-19)24-16-17-25(34-24)28(32)35-26(21-6-4-3-5-7-21)27(31)29-22-12-14-23(33-2)15-13-22/h3-17,26H,1-2H3,(H,29,31)
InChIKeyFXDJGWJSYKHPRN-UHFFFAOYSA-N
MW469.49 g/mol
LogP5.69
Rot. Bonds8

About [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 16572310) has the molecular formula C28H23NO6 and a molecular weight of 469.49 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID16572310
Molecular FormulaC28H23NO6
Molecular Weight469.49 g/mol
Exact Mass469.15
IUPAC Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCOc1ccc(NC(=O)C(OC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c2ccccc2)cc1
InChIInChI=1S/C28H23NO6/c1-18(30)19-8-10-20(11-9-19)24-16-17-25(34-24)28(32)35-26(21-6-4-3-5-7-21)27(31)29-22-12-14-23(33-2)15-13-22/h3-17,26H,1-2H3,(H,29,31)
InChIKeyFXDJGWJSYKHPRN-UHFFFAOYSA-N
XLogP5.69
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate with MolForge

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Related Compounds

(2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
CID 16593715
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
CID 46644627
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727975
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)acetate
CID 46645502
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011333
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46645446
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011293
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 118256663
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950868
methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate
CID 175731652
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2407466
[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate
CID 10432772

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 16572310) is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate is COc1ccc(NC(=O)C(OC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is FXDJGWJSYKHPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO6/c1-18(30)19-8-10-20(11-9-19)24-16-17-25(34-24)28(32)35-26(21-6-4-3-5-7-21)27(31)29-22-12-14-23(33-2)15-13-22/h3-17,26H,1-2H3,(H,29,31).
What are the key properties of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 469.49 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 16572310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).