2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one

C18H27NO — CID 43228442

IUPAC2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)N2CCCCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-3-16-9-11-17(12-10-16)18(20)15(2)19-13-7-5-4-6-8-14-19/h9-12,15H,3-8,13-14H2,1-2H3
InChIKeyUYGMXTRFWRNBPE-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.09
Rot. Bonds4

About 2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one

2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one (PubChem CID 43228442) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one
PubChem CID43228442
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)N2CCCCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-3-16-9-11-17(12-10-16)18(20)15(2)19-13-7-5-4-6-8-14-19/h9-12,15H,3-8,13-14H2,1-2H3
InChIKeyUYGMXTRFWRNBPE-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102889589
1-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1,4-diazepan-5-one
CID 63003643
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 76963739
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 43794581
1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 6430840
1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204702
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 82752916
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]morpholine-2-carbonitrile
CID 79674302
1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride
CID 2845131

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one (CID 43228442) is 2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one is CCc1ccc(C(=O)C(C)N2CCCCCCC2)cc1.
What is the InChIKey of 2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one?
The InChIKey is UYGMXTRFWRNBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-16-9-11-17(12-10-16)18(20)15(2)19-13-7-5-4-6-8-14-19/h9-12,15H,3-8,13-14H2,1-2H3.
What are the key properties of 2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one?
2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 43228442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).