2-(2-ethylazepan-1-yl)-1-phenylethanone

C16H23NO — CID 104690677

IUPAC2-(2-ethylazepan-1-yl)-1-phenylethanone
SMILESCCC1CCCCCN1CC(=O)c1ccccc1
InChIInChI=1S/C16H23NO/c1-2-15-11-7-4-8-12-17(15)13-16(18)14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3
InChIKeyDANLFOIPHSIFND-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.52
Rot. Bonds4

About 2-(2-ethylazepan-1-yl)-1-phenylethanone

2-(2-ethylazepan-1-yl)-1-phenylethanone (PubChem CID 104690677) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-1-phenylethanone
PubChem CID104690677
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(2-ethylazepan-1-yl)-1-phenylethanone
SMILESCCC1CCCCCN1CC(=O)c1ccccc1
InChIInChI=1S/C16H23NO/c1-2-15-11-7-4-8-12-17(15)13-16(18)14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3
InChIKeyDANLFOIPHSIFND-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
CID 104690736
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
1-(2-ethylazepan-1-yl)-3-phenylpropan-2-one
CID 113441826
1-(3-bromophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886122
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120
2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 112692580
4-[2-(2-ethylpyrrolidin-1-yl)acetyl]benzonitrile
CID 54885976
2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
CID 115642542
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-methylphenyl)ethanone
CID 116635378
1-(3-bromo-4-methoxyphenyl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690667
1-phenacylpiperidine-2-carboxamide
CID 60681003
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-1-phenylethanone?
The IUPAC name of 2-(2-ethylazepan-1-yl)-1-phenylethanone (CID 104690677) is 2-(2-ethylazepan-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-1-phenylethanone is CCC1CCCCCN1CC(=O)c1ccccc1.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-1-phenylethanone?
The InChIKey is DANLFOIPHSIFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-15-11-7-4-8-12-17(15)13-16(18)14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-1-phenylethanone?
2-(2-ethylazepan-1-yl)-1-phenylethanone has a molecular weight of 245.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-1-phenylethanone is sourced from PubChem (CID 104690677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).