7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C18H25NO2 — CID 61080673

IUPAC7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(C(O)CC3CCCCC3)ccc2N1
InChIInChI=1S/C18H25NO2/c20-17(11-13-5-2-1-3-6-13)15-9-10-16-14(12-15)7-4-8-18(21)19-16/h9-10,12-13,17,20H,1-8,11H2,(H,19,21)
InChIKeyJXSJSHAISWIOMU-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.97
Rot. Bonds3

About 7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 61080673) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID61080673
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(C(O)CC3CCCCC3)ccc2N1
InChIInChI=1S/C18H25NO2/c20-17(11-13-5-2-1-3-6-13)15-9-10-16-14(12-15)7-4-8-18(21)19-16/h9-10,12-13,17,20H,1-8,11H2,(H,19,21)
InChIKeyJXSJSHAISWIOMU-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-cyclopentyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61083386
7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103165412
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
7-(1-chloro-2-cyclopropylpropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 83148962
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
7-[2-[(3S)-3-benzylpiperidin-1-yl]-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride
CID 142663341
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
CID 63433506
5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
CID 114458659
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 61080673) is 7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cc(C(O)CC3CCCCC3)ccc2N1.
What is the InChIKey of 7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is JXSJSHAISWIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-17(11-13-5-2-1-3-6-13)15-9-10-16-14(12-15)7-4-8-18(21)19-16/h9-10,12-13,17,20H,1-8,11H2,(H,19,21).
What are the key properties of 7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 287.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 61080673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).