2-amino-1-cyclooctyl-3-phenylpropan-1-one

C17H25NO — CID 139435291

IUPAC2-amino-1-cyclooctyl-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)C1CCCCCCC1
InChIInChI=1S/C17H25NO/c18-16(13-14-9-5-4-6-10-14)17(19)15-11-7-2-1-3-8-12-15/h4-6,9-10,15-16H,1-3,7-8,11-13,18H2
InChIKeyXXQQXQXENVUPNR-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.49
Rot. Bonds4

About 2-amino-1-cyclooctyl-3-phenylpropan-1-one

2-amino-1-cyclooctyl-3-phenylpropan-1-one (PubChem CID 139435291) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-amino-1-cyclooctyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-cyclooctyl-3-phenylpropan-1-one
PubChem CID139435291
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-amino-1-cyclooctyl-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)C1CCCCCCC1
InChIInChI=1S/C17H25NO/c18-16(13-14-9-5-4-6-10-14)17(19)15-11-7-2-1-3-8-12-15/h4-6,9-10,15-16H,1-3,7-8,11-13,18H2
InChIKeyXXQQXQXENVUPNR-UHFFFAOYSA-N
XLogP3.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclohexylmethyl 2-amino-3-phenylpropanoate
CID 62383262
ethyl (2R)-2-benzyl-3-cyclohexyl-3-oxopropanoate
CID 134946670
benzyl N-[(2S)-1-cyclohexyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 57308056
2-amino-1-cyclohexyl-2-phenylethanone
CID 116551119
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
CID 61248190
cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclooctyl-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-cyclooctyl-3-phenylpropan-1-one (CID 139435291) is 2-amino-1-cyclooctyl-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-cyclooctyl-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-cyclooctyl-3-phenylpropan-1-one is NC(Cc1ccccc1)C(=O)C1CCCCCCC1.
What is the InChIKey of 2-amino-1-cyclooctyl-3-phenylpropan-1-one?
The InChIKey is XXQQXQXENVUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-16(13-14-9-5-4-6-10-14)17(19)15-11-7-2-1-3-8-12-15/h4-6,9-10,15-16H,1-3,7-8,11-13,18H2.
What are the key properties of 2-amino-1-cyclooctyl-3-phenylpropan-1-one?
2-amino-1-cyclooctyl-3-phenylpropan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclooctyl-3-phenylpropan-1-one is sourced from PubChem (CID 139435291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).