1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone

C17H25NO3 — CID 7380535

IUPAC1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCN2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C17H25NO3/c1-13-11-18(12-14(2)21-13)9-4-10-20-17-7-5-16(6-8-17)15(3)19/h5-8,13-14H,4,9-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyJTFXMIRTEGZTLM-ZIAGYGMSSA-N
MW291.39 g/mol
LogP2.77
Rot. Bonds6

About 1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone

1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone (PubChem CID 7380535) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
PubChem CID7380535
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCN2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C17H25NO3/c1-13-11-18(12-14(2)21-13)9-4-10-20-17-7-5-16(6-8-17)15(3)19/h5-8,13-14H,4,9-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyJTFXMIRTEGZTLM-ZIAGYGMSSA-N
XLogP2.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butoxy]phenyl]ethanone
CID 7380050
methyl 4-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzoate
CID 7412586
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
CID 53313566
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667
(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
CID 2182392
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone (CID 7380535) is 1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone is CC(=O)c1ccc(OCCCN2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of 1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone?
The InChIKey is JTFXMIRTEGZTLM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-11-18(12-14(2)21-13)9-4-10-20-17-7-5-16(6-8-17)15(3)19/h5-8,13-14H,4,9-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of 1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone?
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone is sourced from PubChem (CID 7380535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).