1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one

C17H31NO2 — CID 104753272

IUPAC1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(CC(O)C2CCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-2-6-14-9-10-17(20)18(12-11-14)13-16(19)15-7-4-3-5-8-15/h14-16,19H,2-13H2,1H3
InChIKeyODRKWYIQVGUWLX-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.36
Rot. Bonds5

About 1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one

1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one (PubChem CID 104753272) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one
PubChem CID104753272
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(CC(O)C2CCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-2-6-14-9-10-17(20)18(12-11-14)13-16(19)15-7-4-3-5-8-15/h14-16,19H,2-13H2,1H3
InChIKeyODRKWYIQVGUWLX-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one
CID 103935393
1-(2-hydroxy-3-methoxypropyl)-5-propylazepan-2-one
CID 113237956
1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
CID 104753129
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one
CID 103935391
1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one
CID 107506266
1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one
CID 104747771
1-(2-cyclopentyl-2-hydroxyethyl)-4-ethylpyrrolidin-2-one
CID 104753333
1-(3-hydroxybutan-2-yl)-5-propylazepan-2-one
CID 78992720
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione
CID 113449235
1-(2,3-dihydroxypropyl)-5-propan-2-ylazepan-2-one
CID 115773415
1-(3-methylsulfanylpropyl)-5-propylazepan-2-one
CID 103857956

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one?
The IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one (CID 104753272) is 1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one.
What is the SMILES notation for 1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one?
The canonical SMILES for 1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one is CCCC1CCC(=O)N(CC(O)C2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one?
The InChIKey is ODRKWYIQVGUWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-6-14-9-10-17(20)18(12-11-14)13-16(19)15-7-4-3-5-8-15/h14-16,19H,2-13H2,1H3.
What are the key properties of 1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one?
1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one has a molecular weight of 281.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one is sourced from PubChem (CID 104753272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).