phenacyl morpholine-4-carboxylate

C13H15NO4 — CID 138963634

IUPACphenacyl morpholine-4-carboxylate
SMILESO=C(COC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H15NO4/c15-12(11-4-2-1-3-5-11)10-18-13(16)14-6-8-17-9-7-14/h1-5H,6-10H2
InChIKeyYRRUHCASUIWAKR-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.34
Rot. Bonds3

About phenacyl morpholine-4-carboxylate

phenacyl morpholine-4-carboxylate (PubChem CID 138963634) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is phenacyl morpholine-4-carboxylate.

Molecular Properties

Compound Namephenacyl morpholine-4-carboxylate
PubChem CID138963634
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namephenacyl morpholine-4-carboxylate
SMILESO=C(COC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H15NO4/c15-12(11-4-2-1-3-5-11)10-18-13(16)14-6-8-17-9-7-14/h1-5H,6-10H2
InChIKeyYRRUHCASUIWAKR-UHFFFAOYSA-N
XLogP1.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propionylamino-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 3101228
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2380919
(2-Morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate
CID 2490334
(2-Morpholin-4-yl-2-oxoethyl) 4-methylbenzoate
CID 3963866
2-Oxo-2-phenylethyl 2-(acetylamino)acetate
CID 1619413
Mobecarb
CID 27362
2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate
CID 1613687
5-(2-oxo-2-phenylethoxy)-2-(piperidin-1-ylmethyl)-4H-pyran-4-one
CID 51054662
O-(N-Morpholinocarbonyl)-3-phenyllactic acid
CID 195075
(1,1-difluoro-3-oxo-3-phenylprop-1-en-2-yl) N,N-diethylcarbamate
CID 10956981
[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate
CID 138963596
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
CID 58710946

Frequently Asked Questions

What is the IUPAC name of phenacyl morpholine-4-carboxylate?
The IUPAC name of phenacyl morpholine-4-carboxylate (CID 138963634) is phenacyl morpholine-4-carboxylate.
What is the SMILES notation for phenacyl morpholine-4-carboxylate?
The canonical SMILES for phenacyl morpholine-4-carboxylate is O=C(COC(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of phenacyl morpholine-4-carboxylate?
The InChIKey is YRRUHCASUIWAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(11-4-2-1-3-5-11)10-18-13(16)14-6-8-17-9-7-14/h1-5H,6-10H2.
What are the key properties of phenacyl morpholine-4-carboxylate?
phenacyl morpholine-4-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl morpholine-4-carboxylate is sourced from PubChem (CID 138963634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).