[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

C29H26N2O6 — CID 16534264

IUPAC[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCCOc1ccccc1NC(=O)C(OC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccccc1
InChIInChI=1S/C29H26N2O6/c1-3-35-24-13-8-7-12-22(24)30-28(33)26(20-10-5-4-6-11-20)37-29(34)21-16-15-19(2)23(18-21)31-27(32)25-14-9-17-36-25/h4-18,26H,3H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyIJOQRQZTAGAXTE-UHFFFAOYSA-N
MW498.54 g/mol
LogP5.78
Rot. Bonds9

About [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 16534264) has the molecular formula C29H26N2O6 and a molecular weight of 498.54 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID16534264
Molecular FormulaC29H26N2O6
Molecular Weight498.54 g/mol
Exact Mass498.18
IUPAC Name[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCCOc1ccccc1NC(=O)C(OC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccccc1
InChIInChI=1S/C29H26N2O6/c1-3-35-24-13-8-7-12-22(24)30-28(33)26(20-10-5-4-6-11-20)37-29(34)21-16-15-19(2)23(18-21)31-27(32)25-14-9-17-36-25/h4-18,26H,3H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyIJOQRQZTAGAXTE-UHFFFAOYSA-N
XLogP5.78
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate with MolForge

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Related Compounds

[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 55318659
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
CID 46791499
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(hydroxymethyl)benzoate
CID 2537822
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)benzoate
CID 18197155
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 1,3-benzodioxole-5-carboxylate
CID 2556486
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 7486663
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(methoxymethyl)benzoate
CID 7587707
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7506876
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-formylbenzoate
CID 2504162
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-butoxybenzoate
CID 3259841
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 46519679

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 16534264) is [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is CCOc1ccccc1NC(=O)C(OC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is IJOQRQZTAGAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O6/c1-3-35-24-13-8-7-12-22(24)30-28(33)26(20-10-5-4-6-11-20)37-29(34)21-16-15-19(2)23(18-21)31-27(32)25-14-9-17-36-25/h4-18,26H,3H2,1-2H3,(H,30,33)(H,31,32).
What are the key properties of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 498.54 g/mol, XLogP of 5.78, 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] 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 16534264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).