ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate

C15H19NO5 — CID 58181520

IUPACethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate
SMILESCCOC(=O)C(O)C1OCCN(c2ccc(C)cc2)C1=O
InChIInChI=1S/C15H19NO5/c1-3-20-15(19)12(17)13-14(18)16(8-9-21-13)11-6-4-10(2)5-7-11/h4-7,12-13,17H,3,8-9H2,1-2H3
InChIKeyAOHZWOMJXFOHKT-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.65
Rot. Bonds4

About ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate

ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate (PubChem CID 58181520) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate
PubChem CID58181520
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nameethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate
SMILESCCOC(=O)C(O)C1OCCN(c2ccc(C)cc2)C1=O
InChIInChI=1S/C15H19NO5/c1-3-20-15(19)12(17)13-14(18)16(8-9-21-13)11-6-4-10(2)5-7-11/h4-7,12-13,17H,3,8-9H2,1-2H3
InChIKeyAOHZWOMJXFOHKT-UHFFFAOYSA-N
XLogP0.65
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate?
The IUPAC name of ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate (CID 58181520) is ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate is CCOC(=O)C(O)C1OCCN(c2ccc(C)cc2)C1=O.
What is the InChIKey of ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate?
The InChIKey is AOHZWOMJXFOHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-20-15(19)12(17)13-14(18)16(8-9-21-13)11-6-4-10(2)5-7-11/h4-7,12-13,17H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate?
ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate has a molecular weight of 293.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate is sourced from PubChem (CID 58181520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).