2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone

C25H31ClN2O5 — CID 132767978

IUPAC2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(O)c(CN2CCOC(COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C25H31ClN2O5/c1-19-2-7-23(29)20(14-19)16-27-8-13-33-25(17-27,15-24(30)28-9-11-31-12-10-28)18-32-22-5-3-21(26)4-6-22/h2-7,14,29H,8-13,15-18H2,1H3
InChIKeyGHNHDZBGYIEJGR-UHFFFAOYSA-N
MW474.99 g/mol
LogP3.25
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone

2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone (PubChem CID 132767978) has the molecular formula C25H31ClN2O5 and a molecular weight of 474.99 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
PubChem CID132767978
Molecular FormulaC25H31ClN2O5
Molecular Weight474.99 g/mol
Exact Mass474.19
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(O)c(CN2CCOC(COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C25H31ClN2O5/c1-19-2-7-23(29)20(14-19)16-27-8-13-33-25(17-27,15-24(30)28-9-11-31-12-10-28)18-32-22-5-3-21(26)4-6-22/h2-7,14,29H,8-13,15-18H2,1H3
InChIKeyGHNHDZBGYIEJGR-UHFFFAOYSA-N
XLogP3.25
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-4-[(2,5-difluorophenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773624
2-[2-[(4-chlorophenoxy)methyl]-4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 110081801
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125025465
2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125025464
2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-(1H-indol-4-ylmethyl)morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125026614
2-[2-[(4-chlorophenoxy)methyl]-4-[(5-methyl-3-pyridinyl)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081818
2-[2-[(4-chlorophenoxy)methyl]-4-[[2-(3-chlorophenoxy)phenyl]methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081817
2-[2-[(4-chlorophenoxy)methyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081849
2-[2-[(4-fluorophenoxy)methyl]-4-[(3-hydroxyphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132772645
N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide
CID 132769639
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125018103
2-[2-[(4-chlorophenoxy)methyl]-4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081835

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone (CID 132767978) is 2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone is Cc1ccc(O)c(CN2CCOC(COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)c1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is GHNHDZBGYIEJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O5/c1-19-2-7-23(29)20(14-19)16-27-8-13-33-25(17-27,15-24(30)28-9-11-31-12-10-28)18-32-22-5-3-21(26)4-6-22/h2-7,14,29H,8-13,15-18H2,1H3.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone?
2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 474.99 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-4-[(2-hydroxy-5-methylphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 132767978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).