2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone

C20H23NO4 — CID 97015199

IUPAC2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
SMILESO=C(COCCOc1ccccc1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H23NO4/c22-20(16-23-13-14-24-18-9-5-2-6-10-18)21-11-12-25-19(15-21)17-7-3-1-4-8-17/h1-10,19H,11-16H2/t19-/m1/s1
InChIKeyVCRHWVHAIUBDNT-LJQANCHMSA-N
MW341.41 g/mol
LogP2.68
Rot. Bonds7

About 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone

2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone (PubChem CID 97015199) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
PubChem CID97015199
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
SMILESO=C(COCCOc1ccccc1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H23NO4/c22-20(16-23-13-14-24-18-9-5-2-6-10-18)21-11-12-25-19(15-21)17-7-3-1-4-8-17/h1-10,19H,11-16H2/t19-/m1/s1
InChIKeyVCRHWVHAIUBDNT-LJQANCHMSA-N
XLogP2.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
4-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethoxy]benzamide
CID 94796760
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110364018
2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 31414964
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124947678
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824
4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one
CID 110746632
2-(4-chlorophenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 27375916
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenoxyethoxy)ethanone;hydrochloride
CID 119483479

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone (CID 97015199) is 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone is O=C(COCCOc1ccccc1)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone?
The InChIKey is VCRHWVHAIUBDNT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO4/c22-20(16-23-13-14-24-18-9-5-2-6-10-18)21-11-12-25-19(15-21)17-7-3-1-4-8-17/h1-10,19H,11-16H2/t19-/m1/s1.
What are the key properties of 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone?
2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone is sourced from PubChem (CID 97015199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).