4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one

C17H23NO4 — CID 78767059

IUPAC4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OC(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23NO4/c1-13(19)3-4-15-5-7-16(8-6-15)22-14(2)17(20)18-9-11-21-12-10-18/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyOBAHANQUWFMKOO-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.83
Rot. Bonds6

About 4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one

4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one (PubChem CID 78767059) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one
PubChem CID78767059
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OC(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23NO4/c1-13(19)3-4-15-5-7-16(8-6-15)22-14(2)17(20)18-9-11-21-12-10-18/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyOBAHANQUWFMKOO-UHFFFAOYSA-N
XLogP1.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 63367920
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 78934055
4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one
CID 95598638
4-[4-[1-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one
CID 86958417
(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 28825316
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
2-[4-(3-hydroxybutyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504093

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one?
The IUPAC name of 4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one (CID 78767059) is 4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one.
What is the SMILES notation for 4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one?
The canonical SMILES for 4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one is CC(=O)CCc1ccc(OC(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one?
The InChIKey is OBAHANQUWFMKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13(19)3-4-15-5-7-16(8-6-15)22-14(2)17(20)18-9-11-21-12-10-18/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of 4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one?
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one has a molecular weight of 305.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one is sourced from PubChem (CID 78767059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).