4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one

C21H25FN2O3 — CID 155239737

IUPAC4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one
SMILESO=C1COC(CO)(CCNCCc2ccccc2)CN1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c22-18-6-8-19(9-7-18)24-15-21(16-25,27-14-20(24)26)11-13-23-12-10-17-4-2-1-3-5-17/h1-9,23,25H,10-16H2
InChIKeyYLCPOARUXAMNSJ-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.14
Rot. Bonds8

About 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one

4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one (PubChem CID 155239737) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one
PubChem CID155239737
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one
SMILESO=C1COC(CO)(CCNCCc2ccccc2)CN1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c22-18-6-8-19(9-7-18)24-15-21(16-25,27-14-20(24)26)11-13-23-12-10-17-4-2-1-3-5-17/h1-9,23,25H,10-16H2
InChIKeyYLCPOARUXAMNSJ-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one 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

4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454
N-[3-[2-[2-[5-(hydroxymethyl)-8-oxo-7-phenyl-4-oxa-7-azaspiro[2.5]octan-5-yl]ethylamino]ethyl]phenyl]acetamide
CID 155239808
4-(4-fluorophenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
CID 115068187
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
4-(4-fluorophenyl)-8-(2-phenoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999582
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
8-benzoyl-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999581
4-phenyl-9-(3-phenylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986038
4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155984314
(6R)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374531
(6S)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374532

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one (CID 155239737) is 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one is O=C1COC(CO)(CCNCCc2ccccc2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one?
The InChIKey is YLCPOARUXAMNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c22-18-6-8-19(9-7-18)24-15-21(16-25,27-14-20(24)26)11-13-23-12-10-17-4-2-1-3-5-17/h1-9,23,25H,10-16H2.
What are the key properties of 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one?
4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one has a molecular weight of 372.44 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one is sourced from PubChem (CID 155239737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).