3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one

C18H27NO — CID 63196246

IUPAC3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
SMILESCC(C)(CN1CCCCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C18H27NO/c1-18(2,17(20)16-11-7-6-8-12-16)15-19-13-9-4-3-5-10-14-19/h6-8,11-12H,3-5,9-10,13-15H2,1-2H3
InChIKeyOBGLYTBTOXDXDO-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.16
Rot. Bonds4

About 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one

3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one (PubChem CID 63196246) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
PubChem CID63196246
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
SMILESCC(C)(CN1CCCCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C18H27NO/c1-18(2,17(20)16-11-7-6-8-12-16)15-19-13-9-4-3-5-10-14-19/h6-8,11-12H,3-5,9-10,13-15H2,1-2H3
InChIKeyOBGLYTBTOXDXDO-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 107408621
3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 55163333
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 81103968
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 107459278
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 65324305
4-(azepan-1-yl)-3,3-dimethylbutan-2-one
CID 59854594
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470
2-ethyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
CID 79067649
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
methyl 4-oxo-4-phenyl-3-(piperidin-1-ylmethyl)butanoate
CID 22467076

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
The IUPAC name of 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one (CID 63196246) is 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one is CC(C)(CN1CCCCCCC1)C(=O)c1ccccc1.
What is the InChIKey of 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
The InChIKey is OBGLYTBTOXDXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2,17(20)16-11-7-6-8-12-16)15-19-13-9-4-3-5-10-14-19/h6-8,11-12H,3-5,9-10,13-15H2,1-2H3.
What are the key properties of 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one is sourced from PubChem (CID 63196246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).