(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate

C20H21NO5 — CID 18198778

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H21NO5/c1-24-17-9-7-16(8-10-17)20(23)26-18(15-5-3-2-4-6-15)19(22)21-11-13-25-14-12-21/h2-10,18H,11-14H2,1H3
InChIKeyYUTFANOUWMOYTR-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.45
Rot. Bonds5

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate (PubChem CID 18198778) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
PubChem CID18198778
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H21NO5/c1-24-17-9-7-16(8-10-17)20(23)26-18(15-5-3-2-4-6-15)19(22)21-11-13-25-14-12-21/h2-10,18H,11-14H2,1H3
InChIKeyYUTFANOUWMOYTR-UHFFFAOYSA-N
XLogP2.45
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7716217
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7705762
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8641086
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate
CID 18199494
4-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethoxy]benzamide
CID 8639436
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
CID 18123272
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate (CID 18198778) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate is COc1ccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate?
The InChIKey is YUTFANOUWMOYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-24-17-9-7-16(8-10-17)20(23)26-18(15-5-3-2-4-6-15)19(22)21-11-13-25-14-12-21/h2-10,18H,11-14H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate has a molecular weight of 355.39 g/mol, XLogP of 2.45, 5 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) 4-methoxybenzoate is sourced from PubChem (CID 18198778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).