[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate

C34H30N2O6 — CID 21170255

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
SMILESO=C(CC1OCCN(Cc2ccccc2)C1=O)Nc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C34H30N2O6/c37-30(27-13-11-26(12-14-27)25-9-5-2-6-10-25)23-42-34(40)28-15-17-29(18-16-28)35-32(38)21-31-33(39)36(19-20-41-31)22-24-7-3-1-4-8-24/h1-18,31H,19-23H2,(H,35,38)
InChIKeyGYZWARQGORLCGJ-UHFFFAOYSA-N
MW562.62 g/mol
LogP5.15
Rot. Bonds10

About [2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate

[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate (PubChem CID 21170255) has the molecular formula C34H30N2O6 and a molecular weight of 562.62 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
PubChem CID21170255
Molecular FormulaC34H30N2O6
Molecular Weight562.62 g/mol
Exact Mass562.21
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
SMILESO=C(CC1OCCN(Cc2ccccc2)C1=O)Nc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C34H30N2O6/c37-30(27-13-11-26(12-14-27)25-9-5-2-6-10-25)23-42-34(40)28-15-17-29(18-16-28)35-32(38)21-31-33(39)36(19-20-41-31)22-24-7-3-1-4-8-24/h1-18,31H,19-23H2,(H,35,38)
InChIKeyGYZWARQGORLCGJ-UHFFFAOYSA-N
XLogP5.15
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.62
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 22778078
[2-(4-fluorophenyl)-2-oxoethyl] 4-[[2-[3-oxo-4-(thiophen-2-ylmethyl)morpholin-2-yl]acetyl]amino]benzoate
CID 23101022
2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
CID 941057
[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(3-oxo-4-propylmorpholin-2-yl)acetyl]amino]benzoate
CID 23096997
dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41000175
[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-[3-oxo-4-(thiophen-2-ylmethyl)morpholin-2-yl]acetyl]amino]benzoate
CID 21167618
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 22781209
2-(4-benzyl-3-oxomorpholin-2-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 4231893
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
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
CID 135853095

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate (CID 21170255) is [2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate is O=C(CC1OCCN(Cc2ccccc2)C1=O)Nc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The InChIKey is GYZWARQGORLCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O6/c37-30(27-13-11-26(12-14-27)25-9-5-2-6-10-25)23-42-34(40)28-15-17-29(18-16-28)35-32(38)21-31-33(39)36(19-20-41-31)22-24-7-3-1-4-8-24/h1-18,31H,19-23H2,(H,35,38).
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate has a molecular weight of 562.62 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate is sourced from PubChem (CID 21170255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).