3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one

C20H25NO7 — CID 69135269

IUPAC3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one
SMILESCOc1cccc(OCC(=O)C2=C(O)C(CCCN3CCOCC3)OC2=O)c1
InChIInChI=1S/C20H25NO7/c1-25-14-4-2-5-15(12-14)27-13-16(22)18-19(23)17(28-20(18)24)6-3-7-21-8-10-26-11-9-21/h2,4-5,12,17,23H,3,6-11,13H2,1H3
InChIKeyDUOVNIJFQFOCAF-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.49
Rot. Bonds9

About 3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one

3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one (PubChem CID 69135269) has the molecular formula C20H25NO7 and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one
PubChem CID69135269
Molecular FormulaC20H25NO7
Molecular Weight391.42 g/mol
Exact Mass391.16
IUPAC Name3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one
SMILESCOc1cccc(OCC(=O)C2=C(O)C(CCCN3CCOCC3)OC2=O)c1
InChIInChI=1S/C20H25NO7/c1-25-14-4-2-5-15(12-14)27-13-16(22)18-19(23)17(28-20(18)24)6-3-7-21-8-10-26-11-9-21/h2,4-5,12,17,23H,3,6-11,13H2,1H3
InChIKeyDUOVNIJFQFOCAF-UHFFFAOYSA-N
XLogP1.49
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-methylphenoxy)acetyl]-5-(3-morpholin-4-ylpropyl)oxolane-2,4-dione
CID 91467676
2-morpholin-4-ylethyl 2-(3-methoxyphenoxy)acetate;hydrochloride
CID 23620383
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
5-methoxy-3-[2-(6-morpholin-4-ylhexylsulfanyl)ethyl]-3H-2-benzofuran-1-one
CID 139747383
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine
CID 170871078
3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 568033
(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1255776
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997233

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one?
The IUPAC name of 3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one (CID 69135269) is 3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one is COc1cccc(OCC(=O)C2=C(O)C(CCCN3CCOCC3)OC2=O)c1.
What is the InChIKey of 3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one?
The InChIKey is DUOVNIJFQFOCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO7/c1-25-14-4-2-5-15(12-14)27-13-16(22)18-19(23)17(28-20(18)24)6-3-7-21-8-10-26-11-9-21/h2,4-5,12,17,23H,3,6-11,13H2,1H3.
What are the key properties of 3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one?
3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one has a molecular weight of 391.42 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[2-(3-methoxyphenoxy)acetyl]-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one is sourced from PubChem (CID 69135269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).