(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one

C17H25NO3 — CID 51704521

IUPAC(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one
SMILESCCc1ccc(O[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C17H25NO3/c1-5-15-6-8-16(9-7-15)21-14(4)17(19)18-10-12(2)20-13(3)11-18/h6-9,12-14H,5,10-11H2,1-4H3/t12-,13-,14-/m1/s1
InChIKeyANQOBBWNAJLECS-MGPQQGTHSA-N
MW291.39 g/mol
LogP2.65
Rot. Bonds4

About (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one

(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one (PubChem CID 51704521) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one
PubChem CID51704521
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one
SMILESCCc1ccc(O[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C17H25NO3/c1-5-15-6-8-16(9-7-15)21-14(4)17(19)18-10-12(2)20-13(3)11-18/h6-9,12-14H,5,10-11H2,1-4H3/t12-,13-,14-/m1/s1
InChIKeyANQOBBWNAJLECS-MGPQQGTHSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one with MolForge

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 6554590
2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
CID 82043331
1-[4-(2-chloropropanoyl)piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 146086073
1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793784
(2S)-2-[4-[(2S)-2-(4-ethylphenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 124683688
(2R)-2-(2,4-difluorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 39891493
2-(4-ethylphenoxy)-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propan-1-one
CID 120934263
2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 111434630
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one;hydrochloride
CID 119796866
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 119796851

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one?
The IUPAC name of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one (CID 51704521) is (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one is CCc1ccc(O[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one?
The InChIKey is ANQOBBWNAJLECS-MGPQQGTHSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-15-6-8-16(9-7-15)21-14(4)17(19)18-10-12(2)20-13(3)11-18/h6-9,12-14H,5,10-11H2,1-4H3/t12-,13-,14-/m1/s1.
What are the key properties of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one?
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one is sourced from PubChem (CID 51704521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).