[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate

C15H19NO4 — CID 669506

IUPAC[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H19NO4/c1-10-8-16(9-11(2)19-10)15(18)13-6-4-5-7-14(13)20-12(3)17/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyBDJMJGKXSFGPPK-QWRGUYRKSA-N
MW277.32 g/mol
LogP1.86
Rot. Bonds2

About [2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate

[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate (PubChem CID 669506) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate
PubChem CID669506
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H19NO4/c1-10-8-16(9-11(2)19-10)15(18)13-6-4-5-7-14(13)20-12(3)17/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyBDJMJGKXSFGPPK-QWRGUYRKSA-N
XLogP1.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 3364614
[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660944
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
CID 103933005
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 113331638
(3-amino-2-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957666
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone
CID 27777431
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate?
The IUPAC name of [2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate (CID 669506) is [2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate.
What is the SMILES notation for [2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate?
The canonical SMILES for [2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of [2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate?
The InChIKey is BDJMJGKXSFGPPK-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-8-16(9-11(2)19-10)15(18)13-6-4-5-7-14(13)20-12(3)17/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of [2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate?
[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate has a molecular weight of 277.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate is sourced from PubChem (CID 669506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).