3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one

C19H29NO2 — CID 59941203

IUPAC3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one
SMILESCC(CC(=O)c1ccc(N2CCOCC2)cc1)CC(C)(C)C
InChIInChI=1S/C19H29NO2/c1-15(14-19(2,3)4)13-18(21)16-5-7-17(8-6-16)20-9-11-22-12-10-20/h5-8,15H,9-14H2,1-4H3
InChIKeyDXSLIKXVROYTOU-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.17
Rot. Bonds5

About 3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one

3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one (PubChem CID 59941203) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one.

Molecular Properties

Compound Name3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one
PubChem CID59941203
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one
SMILESCC(CC(=O)c1ccc(N2CCOCC2)cc1)CC(C)(C)C
InChIInChI=1S/C19H29NO2/c1-15(14-19(2,3)4)13-18(21)16-5-7-17(8-6-16)20-9-11-22-12-10-20/h5-8,15H,9-14H2,1-4H3
InChIKeyDXSLIKXVROYTOU-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide
CID 43160152
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 68890716
2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216761
N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]acetamide
CID 4041939
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
1-(4-morpholin-4-ylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanone
CID 75486984
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one?
The IUPAC name of 3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one (CID 59941203) is 3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one.
What is the SMILES notation for 3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one?
The canonical SMILES for 3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one is CC(CC(=O)c1ccc(N2CCOCC2)cc1)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one?
The InChIKey is DXSLIKXVROYTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(14-19(2,3)4)13-18(21)16-5-7-17(8-6-16)20-9-11-22-12-10-20/h5-8,15H,9-14H2,1-4H3.
What are the key properties of 3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one?
3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one has a molecular weight of 303.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one is sourced from PubChem (CID 59941203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).