[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate

C20H24FNO4 — CID 95048509

IUPAC[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate
SMILESO=C(C=C1CCCCC1)OCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C20H24FNO4/c21-17-8-6-16(7-9-17)18-13-22(10-11-25-18)19(23)14-26-20(24)12-15-4-2-1-3-5-15/h6-9,12,18H,1-5,10-11,13-14H2/t18-/m1/s1
InChIKeyXLMLAXAEZRFSHA-GOSISDBHSA-N
MW361.41 g/mol
LogP3.16
Rot. Bonds4

About [2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate

[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate (PubChem CID 95048509) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is [2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate.

Molecular Properties

Compound Name[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate
PubChem CID95048509
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate
SMILESO=C(C=C1CCCCC1)OCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C20H24FNO4/c21-17-8-6-16(7-9-17)18-13-22(10-11-25-18)19(23)14-26-20(24)12-15-4-2-1-3-5-15/h6-9,12,18H,1-5,10-11,13-14H2/t18-/m1/s1
InChIKeyXLMLAXAEZRFSHA-GOSISDBHSA-N
XLogP3.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 95222110
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile
CID 55738682
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate?
The IUPAC name of [2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate (CID 95048509) is [2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate.
What is the SMILES notation for [2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate?
The canonical SMILES for [2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate is O=C(C=C1CCCCC1)OCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of [2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate?
The InChIKey is XLMLAXAEZRFSHA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24FNO4/c21-17-8-6-16(7-9-17)18-13-22(10-11-25-18)19(23)14-26-20(24)12-15-4-2-1-3-5-15/h6-9,12,18H,1-5,10-11,13-14H2/t18-/m1/s1.
What are the key properties of [2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate?
[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate has a molecular weight of 361.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate is sourced from PubChem (CID 95048509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).