4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one

C20H24N2O4 — CID 123840212

IUPAC4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(NCC(O)COCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c23-19(14-26-13-16-4-2-1-3-5-16)12-21-17-6-8-18(9-7-17)22-10-11-25-15-20(22)24/h1-9,19,21,23H,10-15H2
InChIKeyICBQJVOMNGBSHJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.04
Rot. Bonds8

About 4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one

4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one (PubChem CID 123840212) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
PubChem CID123840212
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(NCC(O)COCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c23-19(14-26-13-16-4-2-1-3-5-16)12-21-17-6-8-18(9-7-17)22-10-11-25-15-20(22)24/h1-9,19,21,23H,10-15H2
InChIKeyICBQJVOMNGBSHJ-UHFFFAOYSA-N
XLogP2.04
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
4-[4-[[(2S)-4-(4-aminophenyl)-2-hydroxy-4,4-diphenylbutyl]amino]phenyl]morpholin-3-one
CID 123546223
2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(2S)-oxiran-2-yl]methyl]isoindole-1,3-dione;hydrofluoride
CID 161499223
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
bis[(2R)-1-chloro-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] sulfate
CID 118377688
2-[(2S)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 162184019
[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl] butanoate;[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl butanoate
CID 159322893
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol
CID 113231396
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90258799

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one (CID 123840212) is 4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(NCC(O)COCc2ccccc2)cc1.
What is the InChIKey of 4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one?
The InChIKey is ICBQJVOMNGBSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-19(14-26-13-16-4-2-1-3-5-16)12-21-17-6-8-18(9-7-17)22-10-11-25-15-20(22)24/h1-9,19,21,23H,10-15H2.
What are the key properties of 4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one?
4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one has a molecular weight of 356.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one is sourced from PubChem (CID 123840212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).