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N-Cyclohexanecarbonylpentadecylamine

CAT: 0931-TN7275-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7275-02Size:50 mg
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CAS Number
702638-84-4
Target
Others
Related Pathways
Others
Bioactivity
N-Cyclohexanecarbonylpentadecylamine (Compound 1), an inhibitor of N-Acylethanolamine hydrolyzing acid amidase (NAAA) with an inhibition concentration (IC50) of 4.5 μM, is utilized in inflammation and pain research [1].
Smiles
C(NCCCCCCCCCCCCCCC)(=O)C1CCCCC1
Molecular Formula
C22H43NO
Molecular Weight
337.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

16-Amino-1-cyclohexylhexadecan-1-one

N-Cyclohexanecarbonylpentadecylamine is a ketone.

CAS Number702638-84-4
PubChem CID53432240
IUPAC Name16-amino-1-cyclohexylhexadecan-1-one
Molecular FormulaC22H43NO
Molecular Weight337.6
XLogP7.5
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count24
Formal Charge0
Complexity284
SMILES
C1CCC(CC1)C(=O)CCCCCCCCCCCCCCCN
InChI
InChI=1S/C22H43NO/c23-20-16-11-9-7-5-3-1-2-4-6-8-10-15-19-22(24)21-17-13-12-14-18-21/h21H,1-20,23H2
InChIKey
RYVGWQDLAVSRHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 16-Amino-1-cyclohexylhexadecan-1-one
CAS: 702638-84-4
CID: 53432240
Formula: C22H43NO
MW: 337.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight337.6
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass337.334464995
Monoisotopic Mass337.334464995
Topological Polar Surface Area43.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes