azepan-1-yl-(3,5-dimethylphenyl)methanone

C15H21NO — CID 912590

IUPACazepan-1-yl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H21NO/c1-12-9-13(2)11-14(10-12)15(17)16-7-5-3-4-6-8-16/h9-11H,3-8H2,1-2H3
InChIKeyAWOMJFVKLQWCLM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.32
Rot. Bonds1

About azepan-1-yl-(3,5-dimethylphenyl)methanone

azepan-1-yl-(3,5-dimethylphenyl)methanone (PubChem CID 912590) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is azepan-1-yl-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3,5-dimethylphenyl)methanone
PubChem CID912590
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Nameazepan-1-yl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H21NO/c1-12-9-13(2)11-14(10-12)15(17)16-7-5-3-4-6-8-16/h9-11H,3-8H2,1-2H3
InChIKeyAWOMJFVKLQWCLM-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3,5-dimethylphenyl)methanone?
The IUPAC name of azepan-1-yl-(3,5-dimethylphenyl)methanone (CID 912590) is azepan-1-yl-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(3,5-dimethylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-(3,5-dimethylphenyl)methanone?
The InChIKey is AWOMJFVKLQWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-9-13(2)11-14(10-12)15(17)16-7-5-3-4-6-8-16/h9-11H,3-8H2,1-2H3.
What are the key properties of azepan-1-yl-(3,5-dimethylphenyl)methanone?
azepan-1-yl-(3,5-dimethylphenyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 912590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).