(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate

C21H23NO5 — CID 18199494

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C21H23NO5/c1-25-15-16-6-5-9-18(14-16)21(24)27-19(17-7-3-2-4-8-17)20(23)22-10-12-26-13-11-22/h2-9,14,19H,10-13,15H2,1H3
InChIKeyOZKCDODDIXHOKI-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.59
Rot. Bonds6

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

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate (PubChem CID 18199494) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate
PubChem CID18199494
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C21H23NO5/c1-25-15-16-6-5-9-18(14-16)21(24)27-19(17-7-3-2-4-8-17)20(23)22-10-12-26-13-11-22/h2-9,14,19H,10-13,15H2,1H3
InChIKeyOZKCDODDIXHOKI-UHFFFAOYSA-N
XLogP2.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)benzoate
CID 9065111
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)benzoate
CID 9065094
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7716217
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-amino-3-nitrobenzoate
CID 7602121
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate
CID 43031545
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-(methylsulfinylmethyl)benzoate
CID 55456096
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913161

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate (CID 18199494) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate is COCc1cccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate?
The InChIKey is OZKCDODDIXHOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-25-15-16-6-5-9-18(14-16)21(24)27-19(17-7-3-2-4-8-17)20(23)22-10-12-26-13-11-22/h2-9,14,19H,10-13,15H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate has a molecular weight of 369.42 g/mol, XLogP of 2.59, 6 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-(methoxymethyl)benzoate is sourced from PubChem (CID 18199494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).