phenacyl 2-morpholin-4-ylacetate

C14H17NO4 — CID 27362

IUPACphenacyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCC(=O)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(12-4-2-1-3-5-12)11-19-14(17)10-15-6-8-18-9-7-15/h1-5H,6-11H2
InChIKeyWIELTBTVQBNULW-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.74
Rot. Bonds5

About phenacyl 2-morpholin-4-ylacetate

phenacyl 2-morpholin-4-ylacetate (PubChem CID 27362) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is phenacyl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Namephenacyl 2-morpholin-4-ylacetate
PubChem CID27362
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namephenacyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCC(=O)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(12-4-2-1-3-5-12)11-19-14(17)10-15-6-8-18-9-7-15/h1-5H,6-11H2
InChIKeyWIELTBTVQBNULW-UHFFFAOYSA-N
XLogP0.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze phenacyl 2-morpholin-4-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-morpholin-4-ylacetate?
The IUPAC name of phenacyl 2-morpholin-4-ylacetate (CID 27362) is phenacyl 2-morpholin-4-ylacetate.
What is the SMILES notation for phenacyl 2-morpholin-4-ylacetate?
The canonical SMILES for phenacyl 2-morpholin-4-ylacetate is O=C(CN1CCOCC1)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-morpholin-4-ylacetate?
The InChIKey is WIELTBTVQBNULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(12-4-2-1-3-5-12)11-19-14(17)10-15-6-8-18-9-7-15/h1-5H,6-11H2.
What are the key properties of phenacyl 2-morpholin-4-ylacetate?
phenacyl 2-morpholin-4-ylacetate has a molecular weight of 263.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-morpholin-4-ylacetate is sourced from PubChem (CID 27362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).