[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone

C22H32N2O2 — CID 3317192

IUPAC[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCCCCCC2)cc1)N1CCCCCCC1
InChIInChI=1S/C22H32N2O2/c25-21(23-15-7-3-1-4-8-16-23)19-11-13-20(14-12-19)22(26)24-17-9-5-2-6-10-18-24/h11-14H,1-10,15-18H2
InChIKeyOHVLGZLJDSGZKR-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.50
Rot. Bonds2

About [4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone (PubChem CID 3317192) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone.

Molecular Properties

Compound Name[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
PubChem CID3317192
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCCCCCC2)cc1)N1CCCCCCC1
InChIInChI=1S/C22H32N2O2/c25-21(23-15-7-3-1-4-8-16-23)19-11-13-20(14-12-19)22(26)24-17-9-5-2-6-10-18-24/h11-14H,1-10,15-18H2
InChIKeyOHVLGZLJDSGZKR-UHFFFAOYSA-N
XLogP4.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147
4-(azocane-1-carbonyl)benzenecarbothioamide
CID 28801480
methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid
CID 160607386
1-[4-(azepane-1-carbonyl)phenyl]-2-bromoethanone
CID 87232923
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263

Frequently Asked Questions

What is the IUPAC name of [4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone?
The IUPAC name of [4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone (CID 3317192) is [4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone.
What is the SMILES notation for [4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone?
The canonical SMILES for [4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone is O=C(c1ccc(C(=O)N2CCCCCCC2)cc1)N1CCCCCCC1.
What is the InChIKey of [4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone?
The InChIKey is OHVLGZLJDSGZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21(23-15-7-3-1-4-8-16-23)19-11-13-20(14-12-19)22(26)24-17-9-5-2-6-10-18-24/h11-14H,1-10,15-18H2.
What are the key properties of [4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone?
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone has a molecular weight of 356.51 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone is sourced from PubChem (CID 3317192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).