2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone

C17H25NO3 — CID 102933617

IUPAC2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C17H25NO3/c1-3-4-14-5-7-15(8-6-14)17(20)11-18-9-13(2)21-16(10-18)12-19/h5-8,13,16,19H,3-4,9-12H2,1-2H3
InChIKeyFEGQXXPCOFIRCZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.90
Rot. Bonds6

About 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone

2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone (PubChem CID 102933617) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone
PubChem CID102933617
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C17H25NO3/c1-3-4-14-5-7-15(8-6-14)17(20)11-18-9-13(2)21-16(10-18)12-19/h5-8,13,16,19H,3-4,9-12H2,1-2H3
InChIKeyFEGQXXPCOFIRCZ-UHFFFAOYSA-N
XLogP1.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102933524
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methyl-N-phenylacetamide
CID 102935696
2-(3-hydroxypiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 62035423
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetyl]benzamide
CID 102935865
N-ethyl-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylacetamide
CID 102935999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone (CID 102933617) is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CN2CC(C)OC(CO)C2)cc1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone?
The InChIKey is FEGQXXPCOFIRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-4-14-5-7-15(8-6-14)17(20)11-18-9-13(2)21-16(10-18)12-19/h5-8,13,16,19H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone?
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 102933617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).