[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate

C21H19NO5 — CID 55318659

IUPAC[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
SMILESCCOc1ccccc1NC(=O)C(OC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C21H19NO5/c1-2-25-17-12-7-6-11-16(17)22-20(23)19(15-9-4-3-5-10-15)27-21(24)18-13-8-14-26-18/h3-14,19H,2H2,1H3,(H,22,23)
InChIKeyYHQKILBAFSLXAP-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.22
Rot. Bonds7

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

[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate (PubChem CID 55318659) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
PubChem CID55318659
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
SMILESCCOc1ccccc1NC(=O)C(OC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C21H19NO5/c1-2-25-17-12-7-6-11-16(17)22-20(23)19(15-9-4-3-5-10-15)27-21(24)18-13-8-14-26-18/h3-14,19H,2H2,1H3,(H,22,23)
InChIKeyYHQKILBAFSLXAP-UHFFFAOYSA-N
XLogP4.22
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
CID 46791499
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534264
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(hydroxymethyl)benzoate
CID 2537822
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644172
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(methoxymethyl)benzoate
CID 7587707
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-ethoxypyridine-3-carboxylate
CID 4004793
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)benzoate
CID 18197155
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7506876
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-formylbenzoate
CID 2504162
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 7486663
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2390960
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-butoxybenzoate
CID 3259841

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate (CID 55318659) is [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate is CCOc1ccccc1NC(=O)C(OC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate?
The InChIKey is YHQKILBAFSLXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-2-25-17-12-7-6-11-16(17)22-20(23)19(15-9-4-3-5-10-15)27-21(24)18-13-8-14-26-18/h3-14,19H,2H2,1H3,(H,22,23).
What are the key properties of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate?
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate is sourced from PubChem (CID 55318659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).