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DH 97

CAT: 0607-B6638-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6638-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MT2 melatonin receptor antagonist
CAS Number
220339-00-4
Product Name Alternative
(Z)-N-(2-(2-benzyl-1H-indol-3-yl)ethyl)pentanimidic acid
Field of Research
GPCR G protein Melatonin Receptors
Form
White solid
Solubility
Soluble to 100 mM in DMSO
Smiles
CCCC/C(O)=N/CCC(C1=CC=CC=C1N2)=C2CC3=CC=CC=C3
Molecular Formula
C22H26N2O
Molecular Weight
334.46
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

N-pentanoyl-2-benzyltryptamine

N-[2-[2-(phenylmethyl)-1H-indol-3-yl]ethyl]pentanamide is a member of indoles.

CAS Number220339-00-4
PubChem CID3467177
IUPAC NameN-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
Molecular FormulaC22H26N2O
Molecular Weight334.5
XLogP4.9
Topological Polar Surface Area44.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity405
SMILES
CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
InChIKey
HDOIPCLEKCEANF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-pentanoyl-2-benzyltryptamine
CAS: 220339-00-4
CID: 3467177
Formula: C22H26N2O
MW: 334.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass334.204513457
Monoisotopic Mass334.204513457
Topological Polar Surface Area44.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity405
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

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