1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one

C11H21NO3 — CID 107406143

IUPAC1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H21NO3/c1-9(15-3)10(13)12-7-4-5-11(2,14)6-8-12/h9,14H,4-8H2,1-3H3
InChIKeyNXEDPSJLOVCIGR-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds2

About 1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one

1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one (PubChem CID 107406143) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
PubChem CID107406143
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H21NO3/c1-9(15-3)10(13)12-7-4-5-11(2,14)6-8-12/h9,14H,4-8H2,1-3H3
InChIKeyNXEDPSJLOVCIGR-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Hydroxy-4-methylazepan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 107406568
1-[4-Hydroxy-4-(trifluoromethyl)azepan-1-yl]-2-methoxypropan-1-one
CID 112737843
(2S)-2-hydroxy-1-(4-methoxyazepan-1-yl)propan-1-one
CID 121265349
4-Ethyl-2-methyl-3-oxo-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylic acid
CID 129053854
4-Ethyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069926
2-Methoxy-1-(4-propylazepan-1-yl)propan-1-one
CID 49007502
1-(3-Ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103021260
1-(4-Hydroxy-4-methylazepan-1-yl)-2-methoxy-2-methylbutan-1-one
CID 105652056
3-Amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
CID 106114163
2-[2-(4-Hydroxy-4-methylazepan-1-yl)-2-oxoethoxy]acetic acid
CID 107404019
2-(2-Aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107404270
2-Hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
CID 107404894

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one (CID 107406143) is 1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one is COC(C)C(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one?
The InChIKey is NXEDPSJLOVCIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(15-3)10(13)12-7-4-5-11(2,14)6-8-12/h9,14H,4-8H2,1-3H3.
What are the key properties of 1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one?
1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one has a molecular weight of 215.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 107406143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).