phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate

C23H24N2O6 — CID 22778078

IUPACphenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
SMILESCCN1CCOC(CC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)C1=O
InChIInChI=1S/C23H24N2O6/c1-2-25-12-13-30-20(22(25)28)14-21(27)24-18-10-8-17(9-11-18)23(29)31-15-19(26)16-6-4-3-5-7-16/h3-11,20H,2,12-15H2,1H3,(H,24,27)
InChIKeyOLTRIKHKQRJMGX-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.30
Rot. Bonds8

About phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate

phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate (PubChem CID 22778078) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namephenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
PubChem CID22778078
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Namephenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
SMILESCCN1CCOC(CC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)C1=O
InChIInChI=1S/C23H24N2O6/c1-2-25-12-13-30-20(22(25)28)14-21(27)24-18-10-8-17(9-11-18)23(29)31-15-19(26)16-6-4-3-5-7-16/h3-11,20H,2,12-15H2,1H3,(H,24,27)
InChIKeyOLTRIKHKQRJMGX-UHFFFAOYSA-N
XLogP2.30
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 21170255
[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(3-oxo-4-propylmorpholin-2-yl)acetyl]amino]benzoate
CID 23096997
[2-(4-fluorophenyl)-2-oxoethyl] 4-[[2-[3-oxo-4-(thiophen-2-ylmethyl)morpholin-2-yl]acetyl]amino]benzoate
CID 23101022
[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 22781755
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 22781209
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-[3-oxo-4-(thiophen-2-ylmethyl)morpholin-2-yl]acetyl]amino]benzoate
CID 21167618
dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41000175
2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
CID 941057
methyl 4-[[2-[4-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]-3-oxomorpholin-2-yl]acetyl]amino]benzoate
CID 53277602
4-[[2-[2-(4-carbamoylanilino)-2-oxoethyl]-3-oxomorpholin-4-yl]methyl]-3-phenyloxadiazol-3-ium-5-olate
CID 53296277
phenacyl 4-[(4-bromobenzoyl)amino]benzoate
CID 2265866
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864

Frequently Asked Questions

What is the IUPAC name of phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The IUPAC name of phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate (CID 22778078) is phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate.
What is the SMILES notation for phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The canonical SMILES for phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate is CCN1CCOC(CC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)C1=O.
What is the InChIKey of phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The InChIKey is OLTRIKHKQRJMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-2-25-12-13-30-20(22(25)28)14-21(27)24-18-10-8-17(9-11-18)23(29)31-15-19(26)16-6-4-3-5-7-16/h3-11,20H,2,12-15H2,1H3,(H,24,27).
What are the key properties of phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate has a molecular weight of 424.45 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate is sourced from PubChem (CID 22778078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).