1-(azocan-1-yl)-2-phenoxyethanone

C15H21NO2 — CID 6467910

IUPAC1-(azocan-1-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCCCCC1
InChIInChI=1S/C15H21NO2/c17-15(13-18-14-9-5-4-6-10-14)16-11-7-2-1-3-8-12-16/h4-6,9-10H,1-3,7-8,11-13H2
InChIKeyBIJUSLNHJLONEF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds3

About 1-(azocan-1-yl)-2-phenoxyethanone

1-(azocan-1-yl)-2-phenoxyethanone (PubChem CID 6467910) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-phenoxyethanone
PubChem CID6467910
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(azocan-1-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCCCCC1
InChIInChI=1S/C15H21NO2/c17-15(13-18-14-9-5-4-6-10-14)16-11-7-2-1-3-8-12-16/h4-6,9-10H,1-3,7-8,11-13H2
InChIKeyBIJUSLNHJLONEF-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cyclohexyl-2-phenoxyacetamide
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N,N-bis(2-phenoxyethyl)acetamide
CID 728964
N-cyclooctyl-2-(4-methoxyphenoxy)acetamide
CID 774454
1-(Morpholin-4-yl)-2-phenoxyethan-1-one
CID 575101
N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 80619
1-[(4-Fluorophenoxy)acetyl]azocane
CID 6466266
1-(Azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 6467613
1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone
CID 6468849
1-(4-Methyl-1,4-diazepan-1-yl)-2-phenoxyethanone
CID 17148763
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653
1-(4-Phenoxybutanoyl)piperidine
CID 2164024

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(azocan-1-yl)-2-phenoxyethanone (CID 6467910) is 1-(azocan-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-phenoxyethanone?
The InChIKey is BIJUSLNHJLONEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(13-18-14-9-5-4-6-10-14)16-11-7-2-1-3-8-12-16/h4-6,9-10H,1-3,7-8,11-13H2.
What are the key properties of 1-(azocan-1-yl)-2-phenoxyethanone?
1-(azocan-1-yl)-2-phenoxyethanone has a molecular weight of 247.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 6467910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).