(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate

C20H18N2O4 — CID 18199101

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O4/c21-14-15-5-4-8-17(13-15)20(24)26-18(16-6-2-1-3-7-16)19(23)22-9-11-25-12-10-22/h1-8,13,18H,9-12H2
InChIKeyZXOLEAAHVKPMRG-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.32
Rot. Bonds4

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate (PubChem CID 18199101) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
PubChem CID18199101
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O4/c21-14-15-5-4-8-17(13-15)20(24)26-18(16-6-2-1-3-7-16)19(23)22-9-11-25-12-10-22/h1-8,13,18H,9-12H2
InChIKeyZXOLEAAHVKPMRG-UHFFFAOYSA-N
XLogP2.32
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate
CID 7705295
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
CID 7705315
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate
CID 18199494
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-amino-3-nitrobenzoate
CID 7602121
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 43031541
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7705762
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8913702
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate (CID 18199101) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate is N#Cc1cccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate?
The InChIKey is ZXOLEAAHVKPMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c21-14-15-5-4-8-17(13-15)20(24)26-18(16-6-2-1-3-7-16)19(23)22-9-11-25-12-10-22/h1-8,13,18H,9-12H2.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate has a molecular weight of 350.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate is sourced from PubChem (CID 18199101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).