3-(2-phenylethylamino)azepan-2-one

C14H20N2O — CID 43199237

IUPAC3-(2-phenylethylamino)azepan-2-one
SMILESO=C1NCCCCC1NCCc1ccccc1
InChIInChI=1S/C14H20N2O/c17-14-13(8-4-5-10-16-14)15-11-9-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)
InChIKeyWMEXLWRYSBUCOZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.49
Rot. Bonds4

About 3-(2-phenylethylamino)azepan-2-one

3-(2-phenylethylamino)azepan-2-one (PubChem CID 43199237) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(2-phenylethylamino)azepan-2-one.

Molecular Properties

Compound Name3-(2-phenylethylamino)azepan-2-one
PubChem CID43199237
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(2-phenylethylamino)azepan-2-one
SMILESO=C1NCCCCC1NCCc1ccccc1
InChIInChI=1S/C14H20N2O/c17-14-13(8-4-5-10-16-14)15-11-9-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)
InChIKeyWMEXLWRYSBUCOZ-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylethylamino)piperidin-2-one
CID 62093018
3-(2-pyridin-3-ylethylamino)azepan-2-one
CID 60914794
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
3-[2-(3-fluorophenyl)ethylamino]azepan-2-one
CID 43420602
3-(2-pyridin-3-ylethylamino)piperidin-2-one
CID 63264736
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
3-(pyridin-2-ylmethylamino)azepan-2-one
CID 43199271
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
3-[(2-aminophenyl)methylamino]piperidin-2-one
CID 66417485
3-[[3-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 43199156
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylamino)azepan-2-one?
The IUPAC name of 3-(2-phenylethylamino)azepan-2-one (CID 43199237) is 3-(2-phenylethylamino)azepan-2-one.
What is the SMILES notation for 3-(2-phenylethylamino)azepan-2-one?
The canonical SMILES for 3-(2-phenylethylamino)azepan-2-one is O=C1NCCCCC1NCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylamino)azepan-2-one?
The InChIKey is WMEXLWRYSBUCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14-13(8-4-5-10-16-14)15-11-9-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17).
What are the key properties of 3-(2-phenylethylamino)azepan-2-one?
3-(2-phenylethylamino)azepan-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylamino)azepan-2-one is sourced from PubChem (CID 43199237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).