azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone

C20H23NO — CID 126484488

IUPACazepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C20H23NO/c1-16-9-11-17(12-10-16)18-7-6-8-19(15-18)20(22)21-13-4-2-3-5-14-21/h6-12,15H,2-5,13-14H2,1H3
InChIKeyBJVBANZSYWSFPY-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.68
Rot. Bonds2

About azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone

azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone (PubChem CID 126484488) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
PubChem CID126484488
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Nameazepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C20H23NO/c1-16-9-11-17(12-10-16)18-7-6-8-19(15-18)20(22)21-13-4-2-3-5-14-21/h6-12,15H,2-5,13-14H2,1H3
InChIKeyBJVBANZSYWSFPY-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
azepan-1-yl-[3-(3-fluoro-4-methylphenyl)phenyl]methanone
CID 126484495
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
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[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
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[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
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ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine
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N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118768764
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone?
The IUPAC name of azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone (CID 126484488) is azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone?
The canonical SMILES for azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone is Cc1ccc(-c2cccc(C(=O)N3CCCCCC3)c2)cc1.
What is the InChIKey of azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone?
The InChIKey is BJVBANZSYWSFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-16-9-11-17(12-10-16)18-7-6-8-19(15-18)20(22)21-13-4-2-3-5-14-21/h6-12,15H,2-5,13-14H2,1H3.
What are the key properties of azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone?
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone has a molecular weight of 293.41 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone is sourced from PubChem (CID 126484488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).