[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate

C18H24N2O5 — CID 8609325

IUPAC[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C18H24N2O5/c1-12-9-20(10-13(2)25-12)17(22)11-24-18(23)8-15-4-6-16(7-5-15)19-14(3)21/h4-7,12-13H,8-11H2,1-3H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyLCXDDGRTGLDELE-CHWSQXEVSA-N
MW348.40 g/mol
LogP1.37
Rot. Bonds5

About [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8609325) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8609325
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C18H24N2O5/c1-12-9-20(10-13(2)25-12)17(22)11-24-18(23)8-15-4-6-16(7-5-15)19-14(3)21/h4-7,12-13H,8-11H2,1-3H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyLCXDDGRTGLDELE-CHWSQXEVSA-N
XLogP1.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 24982761
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 51723611
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate
CID 4844934
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
N-[4-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 106671076
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium
CID 8791276
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899443
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2460592
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867396
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate (CID 8609325) is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is LCXDDGRTGLDELE-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12-9-20(10-13(2)25-12)17(22)11-24-18(23)8-15-4-6-16(7-5-15)19-14(3)21/h4-7,12-13H,8-11H2,1-3H3,(H,19,21)/t12-,13-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 348.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8609325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).