[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate

C22H25NO6 — CID 7704937

IUPAC[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H25NO6/c1-2-27-18-8-10-19(11-9-18)28-16-20(24)29-21(17-6-4-3-5-7-17)22(25)23-12-14-26-15-13-23/h3-11,21H,2,12-16H2,1H3/t21-/m0/s1
InChIKeyXRWANFPECRWPQX-NRFANRHFSA-N
MW399.44 g/mol
LogP2.61
Rot. Bonds8

About [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate (PubChem CID 7704937) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
PubChem CID7704937
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H25NO6/c1-2-27-18-8-10-19(11-9-18)28-16-20(24)29-21(17-6-4-3-5-7-17)22(25)23-12-14-26-15-13-23/h3-11,21H,2,12-16H2,1H3/t21-/m0/s1
InChIKeyXRWANFPECRWPQX-NRFANRHFSA-N
XLogP2.61
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate with MolForge

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(4-fluorophenoxy)acetate
CID 47009421
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate
CID 55317024
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 8639042
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 7699782
[(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] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632606
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 18269190

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate (CID 7704937) is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate?
The InChIKey is XRWANFPECRWPQX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25NO6/c1-2-27-18-8-10-19(11-9-18)28-16-20(24)29-21(17-6-4-3-5-7-17)22(25)23-12-14-26-15-13-23/h3-11,21H,2,12-16H2,1H3/t21-/m0/s1.
What are the key properties of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate?
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate has a molecular weight of 399.44 g/mol, XLogP of 2.61, 8 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-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 7704937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).