[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

C24H27NO6 — CID 7705762

IUPAC[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESO=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C24H27NO6/c26-23(25-12-15-28-16-13-25)22(18-5-2-1-3-6-18)31-24(27)19-8-10-20(11-9-19)30-17-21-7-4-14-29-21/h1-3,5-6,8-11,21-22H,4,7,12-17H2/t21-,22-/m1/s1
InChIKeyASHBZSSQAFIDMQ-FGZHOGPDSA-N
MW425.48 g/mol
LogP3.00
Rot. Bonds7

About [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (PubChem CID 7705762) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
PubChem CID7705762
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESO=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C24H27NO6/c26-23(25-12-15-28-16-13-25)22(18-5-2-1-3-6-18)31-24(27)19-8-10-20(11-9-19)30-17-21-7-4-14-29-21/h1-3,5-6,8-11,21-22H,4,7,12-17H2/t21-,22-/m1/s1
InChIKeyASHBZSSQAFIDMQ-FGZHOGPDSA-N
XLogP3.00
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 8010898
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 16599980
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(4-fluorophenoxy)acetate
CID 47009421
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8641086
N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 134029356

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (CID 7705762) is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.
What is the SMILES notation for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The canonical SMILES for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The InChIKey is ASHBZSSQAFIDMQ-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H27NO6/c26-23(25-12-15-28-16-13-25)22(18-5-2-1-3-6-18)31-24(27)19-8-10-20(11-9-19)30-17-21-7-4-14-29-21/h1-3,5-6,8-11,21-22H,4,7,12-17H2/t21-,22-/m1/s1.
What are the key properties of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate has a molecular weight of 425.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is sourced from PubChem (CID 7705762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).