[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate

C21H23NO6 — CID 7716217

IUPAC[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C21H23NO6/c1-25-16-8-9-18(26-2)17(14-16)21(24)28-19(15-6-4-3-5-7-15)20(23)22-10-12-27-13-11-22/h3-9,14,19H,10-13H2,1-2H3/t19-/m0/s1
InChIKeyZFIJVDSMSWSMHJ-IBGZPJMESA-N
MW385.42 g/mol
LogP2.46
Rot. Bonds6

About [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate (PubChem CID 7716217) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
PubChem CID7716217
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C21H23NO6/c1-25-16-8-9-18(26-2)17(14-16)21(24)28-19(15-6-4-3-5-7-15)20(23)22-10-12-27-13-11-22/h3-9,14,19H,10-13H2,1-2H3/t19-/m0/s1
InChIKeyZFIJVDSMSWSMHJ-IBGZPJMESA-N
XLogP2.46
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-hydroxy-5-methoxybenzoate
CID 7716245
2-(2-methoxy-4-methylphenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 17467186
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate
CID 18198886
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-fluoro-4-methoxybenzoate
CID 8837625
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913161
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate
CID 24520183
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate
CID 18199494
(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
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate?
The IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate (CID 7716217) is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate?
The canonical SMILES for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)c1.
What is the InChIKey of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate?
The InChIKey is ZFIJVDSMSWSMHJ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23NO6/c1-25-16-8-9-18(26-2)17(14-16)21(24)28-19(15-6-4-3-5-7-15)20(23)22-10-12-27-13-11-22/h3-9,14,19H,10-13H2,1-2H3/t19-/m0/s1.
What are the key properties of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate?
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate has a molecular weight of 385.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 7716217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).