(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one

C19H21NO3 — CID 734825

IUPAC(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C19H21NO3/c1-15(19(21)20-11-13-22-14-12-20)23-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3/t15-/m0/s1
InChIKeyDXIKPLIZDQJDKL-HNNXBMFYSA-N
MW311.38 g/mol
LogP2.98
Rot. Bonds4

About (2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one

(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one (PubChem CID 734825) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
PubChem CID734825
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C19H21NO3/c1-15(19(21)20-11-13-22-14-12-20)23-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3/t15-/m0/s1
InChIKeyDXIKPLIZDQJDKL-HNNXBMFYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]ethane-1,2-dione
CID 55607691
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
CID 119563868
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 119216684
2-(4-phenylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 17249391
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one (CID 734825) is (2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one is C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one?
The InChIKey is DXIKPLIZDQJDKL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15(19(21)20-11-13-22-14-12-20)23-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one?
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one has a molecular weight of 311.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one is sourced from PubChem (CID 734825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).