(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate

C22H25NO6 — CID 55317024

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate
SMILESCC(OC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C22H25NO6/c1-17(22(25)23-11-13-26-14-12-23)29-21(24)16-28-20-9-7-19(8-10-20)27-15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3
InChIKeyJOSGDCYBCNQXLS-UHFFFAOYSA-N
MW399.44 g/mol
LogP2.43
Rot. Bonds8

About (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate

(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 55317024) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID55317024
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate
SMILESCC(OC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C22H25NO6/c1-17(22(25)23-11-13-26-14-12-23)29-21(24)16-28-20-9-7-19(8-10-20)27-15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3
InChIKeyJOSGDCYBCNQXLS-UHFFFAOYSA-N
XLogP2.43
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 55525865
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 55525968
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(4-bromophenoxy)acetate
CID 55419490
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate
CID 8925521
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(4-fluorophenoxy)acetate
CID 47009421
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 7839751
N-(2-morpholin-4-ylpropyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 55612253
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417151
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 7839766
N-[4-methyl-1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-2-yl]-4-phenylmethoxybenzenesulfonamide
CID 155168559

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate (CID 55317024) is (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate is CC(OC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is JOSGDCYBCNQXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-17(22(25)23-11-13-26-14-12-23)29-21(24)16-28-20-9-7-19(8-10-20)27-15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 399.44 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 55317024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).