[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

C24H28N2O6 — CID 46675286

IUPAC[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C24H28N2O6/c1-17-15-26(13-14-31-17)23(28)16-32-24(29)20-5-3-4-6-21(20)25-22(27)12-9-18-7-10-19(30-2)11-8-18/h3-8,10-11,17H,9,12-16H2,1-2H3,(H,25,27)
InChIKeyUBKYYQGGGAGSMP-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.67
Rot. Bonds8

About [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (PubChem CID 46675286) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
PubChem CID46675286
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C24H28N2O6/c1-17-15-26(13-14-31-17)23(28)16-32-24(29)20-5-3-4-6-21(20)25-22(27)12-9-18-7-10-19(30-2)11-8-18/h3-8,10-11,17H,9,12-16H2,1-2H3,(H,25,27)
InChIKeyUBKYYQGGGAGSMP-UHFFFAOYSA-N
XLogP2.67
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate with MolForge

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Related Compounds

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 31438555
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982114
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42981329
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 43033084
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 42944717
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55479089
3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637300
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982115
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 18204731
3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide
CID 60562474

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (CID 46675286) is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The InChIKey is UBKYYQGGGAGSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-17-15-26(13-14-31-17)23(28)16-32-24(29)20-5-3-4-6-21(20)25-22(27)12-9-18-7-10-19(30-2)11-8-18/h3-8,10-11,17H,9,12-16H2,1-2H3,(H,25,27).
What are the key properties of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate has a molecular weight of 440.50 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 46675286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).