[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate

C24H21NO5 — CID 8534586

IUPAC[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate
SMILESO=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)NCCOc1ccccc1
InChIInChI=1S/C24H21NO5/c26-22(25-15-16-29-21-9-5-2-6-10-21)17-30-24(28)20-13-11-19(12-14-20)23(27)18-7-3-1-4-8-18/h1-14H,15-17H2,(H,25,26)
InChIKeyJLROBQRJPXJRLX-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.27
Rot. Bonds9

About [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate

[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate (PubChem CID 8534586) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate
PubChem CID8534586
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate
SMILESO=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)NCCOc1ccccc1
InChIInChI=1S/C24H21NO5/c26-22(25-15-16-29-21-9-5-2-6-10-21)17-30-24(28)20-13-11-19(12-14-20)23(27)18-7-3-1-4-8-18/h1-14H,15-17H2,(H,25,26)
InChIKeyJLROBQRJPXJRLX-UHFFFAOYSA-N
XLogP3.27
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-cyanobenzoate
CID 18193603
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-fluoro-4-methylbenzoate
CID 9386992
[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18158280
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845463
[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 8607464
[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 2520547
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728487
2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide
CID 24682749
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 4-methylbenzoate
CID 9018182
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18193579
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 3-methylbenzoate
CID 9290573

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate?
The IUPAC name of [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate (CID 8534586) is [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate is O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)NCCOc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate?
The InChIKey is JLROBQRJPXJRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c26-22(25-15-16-29-21-9-5-2-6-10-21)17-30-24(28)20-13-11-19(12-14-20)23(27)18-7-3-1-4-8-18/h1-14H,15-17H2,(H,25,26).
What are the key properties of [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate?
[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate has a molecular weight of 403.43 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate is sourced from PubChem (CID 8534586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).