8-(3-propan-2-ylphenyl)azocan-2-one

C16H23NO — CID 165492305

IUPAC8-(3-propan-2-ylphenyl)azocan-2-one
SMILESCC(C)c1cccc(C2CCCCCC(=O)N2)c1
InChIInChI=1S/C16H23NO/c1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-16(18)17-15/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,17,18)
InChIKeyQJSJYMQTRSNNOA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.93
Rot. Bonds2

About 8-(3-propan-2-ylphenyl)azocan-2-one

8-(3-propan-2-ylphenyl)azocan-2-one (PubChem CID 165492305) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 8-(3-propan-2-ylphenyl)azocan-2-one.

Molecular Properties

Compound Name8-(3-propan-2-ylphenyl)azocan-2-one
PubChem CID165492305
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name8-(3-propan-2-ylphenyl)azocan-2-one
SMILESCC(C)c1cccc(C2CCCCCC(=O)N2)c1
InChIInChI=1S/C16H23NO/c1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-16(18)17-15/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,17,18)
InChIKeyQJSJYMQTRSNNOA-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-(3-propan-2-ylphenyl)azocan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-propan-2-ylphenyl)azocan-2-one?
The IUPAC name of 8-(3-propan-2-ylphenyl)azocan-2-one (CID 165492305) is 8-(3-propan-2-ylphenyl)azocan-2-one.
What is the SMILES notation for 8-(3-propan-2-ylphenyl)azocan-2-one?
The canonical SMILES for 8-(3-propan-2-ylphenyl)azocan-2-one is CC(C)c1cccc(C2CCCCCC(=O)N2)c1.
What is the InChIKey of 8-(3-propan-2-ylphenyl)azocan-2-one?
The InChIKey is QJSJYMQTRSNNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-16(18)17-15/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,17,18).
What are the key properties of 8-(3-propan-2-ylphenyl)azocan-2-one?
8-(3-propan-2-ylphenyl)azocan-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-propan-2-ylphenyl)azocan-2-one is sourced from PubChem (CID 165492305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).