[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate

C23H24N2O7 — CID 22781209

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1ccc(NC(=O)CC2OCCN(C)C2=O)cc1
InChIInChI=1S/C23H24N2O7/c1-25-11-12-31-20(22(25)28)13-21(27)24-16-9-7-15(8-10-16)23(29)32-14-18(26)17-5-3-4-6-19(17)30-2/h3-10,20H,11-14H2,1-2H3,(H,24,27)
InChIKeyAGEIGDGPBYGPHA-UHFFFAOYSA-N
MW440.45 g/mol
LogP1.92
Rot. Bonds8

About [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate

[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate (PubChem CID 22781209) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
PubChem CID22781209
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1ccc(NC(=O)CC2OCCN(C)C2=O)cc1
InChIInChI=1S/C23H24N2O7/c1-25-11-12-31-20(22(25)28)13-21(27)24-16-9-7-15(8-10-16)23(29)32-14-18(26)17-5-3-4-6-19(17)30-2/h3-10,20H,11-14H2,1-2H3,(H,24,27)
InChIKeyAGEIGDGPBYGPHA-UHFFFAOYSA-N
XLogP1.92
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

[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-chlorophenyl)-2-oxoethyl] 4-[[2-(3-oxo-4-propylmorpholin-2-yl)acetyl]amino]benzoate
CID 23096997
phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 22778078
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 21170255
[2-(4-fluorophenyl)-2-oxoethyl] 4-[[2-[3-oxo-4-(thiophen-2-ylmethyl)morpholin-2-yl]acetyl]amino]benzoate
CID 23101022
[2-(2-methoxyphenyl)-2-oxoethyl] 4-bromobenzoate
CID 2357062
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
CID 7560736
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2113657
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
octyl 4-[[3-(2-methoxyphenyl)-3-oxopropanoyl]amino]benzoate
CID 4550624

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate (CID 22781209) is [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate is COc1ccccc1C(=O)COC(=O)c1ccc(NC(=O)CC2OCCN(C)C2=O)cc1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The InChIKey is AGEIGDGPBYGPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-25-11-12-31-20(22(25)28)13-21(27)24-16-9-7-15(8-10-16)23(29)32-14-18(26)17-5-3-4-6-19(17)30-2/h3-10,20H,11-14H2,1-2H3,(H,24,27).
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate has a molecular weight of 440.45 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate is sourced from PubChem (CID 22781209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).