azocan-1-yl-(2-benzylphenyl)methanone

C21H25NO — CID 112793165

IUPACazocan-1-yl-(2-benzylphenyl)methanone
SMILESO=C(c1ccccc1Cc1ccccc1)N1CCCCCCC1
InChIInChI=1S/C21H25NO/c23-21(22-15-9-2-1-3-10-16-22)20-14-8-7-13-19(20)17-18-11-5-4-6-12-18/h4-8,11-14H,1-3,9-10,15-17H2
InChIKeyHVOLIZDIZVXIGI-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.68
Rot. Bonds3

About azocan-1-yl-(2-benzylphenyl)methanone

azocan-1-yl-(2-benzylphenyl)methanone (PubChem CID 112793165) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is azocan-1-yl-(2-benzylphenyl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(2-benzylphenyl)methanone
PubChem CID112793165
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Nameazocan-1-yl-(2-benzylphenyl)methanone
SMILESO=C(c1ccccc1Cc1ccccc1)N1CCCCCCC1
InChIInChI=1S/C21H25NO/c23-21(22-15-9-2-1-3-10-16-22)20-14-8-7-13-19(20)17-18-11-5-4-6-12-18/h4-8,11-14H,1-3,9-10,15-17H2
InChIKeyHVOLIZDIZVXIGI-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
CID 119480881
1-[2-[4-(2-benzylbenzoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55950215
2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide
CID 82179408
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
CID 125135374
(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646387
[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 13041721
[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
CID 90648190
[2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone
CID 91779287

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(2-benzylphenyl)methanone?
The IUPAC name of azocan-1-yl-(2-benzylphenyl)methanone (CID 112793165) is azocan-1-yl-(2-benzylphenyl)methanone.
What is the SMILES notation for azocan-1-yl-(2-benzylphenyl)methanone?
The canonical SMILES for azocan-1-yl-(2-benzylphenyl)methanone is O=C(c1ccccc1Cc1ccccc1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(2-benzylphenyl)methanone?
The InChIKey is HVOLIZDIZVXIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-21(22-15-9-2-1-3-10-16-22)20-14-8-7-13-19(20)17-18-11-5-4-6-12-18/h4-8,11-14H,1-3,9-10,15-17H2.
What are the key properties of azocan-1-yl-(2-benzylphenyl)methanone?
azocan-1-yl-(2-benzylphenyl)methanone has a molecular weight of 307.44 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(2-benzylphenyl)methanone is sourced from PubChem (CID 112793165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).