1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione

C22H25NO4 — CID 110308920

IUPAC1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C22H25NO4/c1-26-19-12-10-17(11-13-19)20(24)8-5-9-22(25)23-14-15-27-21(16-23)18-6-3-2-4-7-18/h2-4,6-7,10-13,21H,5,8-9,14-16H2,1H3
InChIKeyXKAYKBUYLFFAGV-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.65
Rot. Bonds7

About 1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione

1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione (PubChem CID 110308920) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
PubChem CID110308920
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C22H25NO4/c1-26-19-12-10-17(11-13-19)20(24)8-5-9-22(25)23-14-15-27-21(16-23)18-6-3-2-4-7-18/h2-4,6-7,10-13,21H,5,8-9,14-16H2,1H3
InChIKeyXKAYKBUYLFFAGV-UHFFFAOYSA-N
XLogP3.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
CID 120687850
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide
CID 27375928
2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16895157
N'-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16894925
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
CID 120684511
3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
4-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethoxy]benzamide
CID 94796760

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione (CID 110308920) is 1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione is COc1ccc(C(=O)CCCC(=O)N2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione?
The InChIKey is XKAYKBUYLFFAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-26-19-12-10-17(11-13-19)20(24)8-5-9-22(25)23-14-15-27-21(16-23)18-6-3-2-4-7-18/h2-4,6-7,10-13,21H,5,8-9,14-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione?
1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione has a molecular weight of 367.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione is sourced from PubChem (CID 110308920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).