ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate

C16H23NO3 — CID 106677030

IUPACethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N1CC(C)OCC1C
InChIInChI=1S/C16H23NO3/c1-4-19-16(18)15(14-8-6-5-7-9-14)17-10-13(3)20-11-12(17)2/h5-9,12-13,15H,4,10-11H2,1-3H3
InChIKeyPLABPRYZRYCEDV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.40
Rot. Bonds4

About ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate

ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate (PubChem CID 106677030) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate
PubChem CID106677030
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N1CC(C)OCC1C
InChIInChI=1S/C16H23NO3/c1-4-19-16(18)15(14-8-6-5-7-9-14)17-10-13(3)20-11-12(17)2/h5-9,12-13,15H,4,10-11H2,1-3H3
InChIKeyPLABPRYZRYCEDV-UHFFFAOYSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
CID 103715635
2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one
CID 43796467
ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
CID 106677138
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
N-[2-(2,5-dimethylmorpholin-4-yl)-2-phenylethyl]propan-2-amine
CID 62431897
2-(2,5-dimethylmorpholin-4-yl)-2-(2-ethoxyphenyl)ethanamine
CID 43544351
3-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropanethioamide
CID 62780102
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate
CID 60893385
2-(2,5-dimethylmorpholin-4-yl)-1-phenylethanamine
CID 43544546
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate
CID 92643637

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate?
The IUPAC name of ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate (CID 106677030) is ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate?
The canonical SMILES for ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate is CCOC(=O)C(c1ccccc1)N1CC(C)OCC1C.
What is the InChIKey of ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate?
The InChIKey is PLABPRYZRYCEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-19-16(18)15(14-8-6-5-7-9-14)17-10-13(3)20-11-12(17)2/h5-9,12-13,15H,4,10-11H2,1-3H3.
What are the key properties of ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate?
ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate has a molecular weight of 277.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate is sourced from PubChem (CID 106677030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).