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2-Ethyl-2-phenylmalonamide-d5

CAT: 0804-HY-132804SSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132804SSize:2.5 mg
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Description
2-Ethyl-2-phenylmalonamide-d5 is the deuterium labeled 2-Ethyl-2-phenylmalonamide[1].
CAS Number
1215398-95-0
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
O=C(N)C(C1=CC=CC=C1)(C([2H])([2H])C([2H])([2H])[2H])C(N)=O
Molecular Formula
C11H9D5N2O2
Molecular Weight
211.27
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2-Ethyl-2-phenylmalonamide-d5
CAS Number1215398-95-0
PubChem CID46781562
IUPAC Name2-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpropanediamide
Molecular FormulaC11H14N2O2
Molecular Weight211.27
XLogP0.1
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity243
SMILES
[2H]C([2H])([2H])C([2H])([2H])C(C1=CC=CC=C1)(C(=O)N)C(=O)N
InChI
InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)/i1D3,2D2
InChIKey
JFZHPFOXAAIUMB-ZBJDZAJPSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-2-phenylmalonamide-d5
CAS: 1215398-95-0
CID: 46781562
Formula: C11H14N2O2
MW: 211.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.27
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass211.136911423
Monoisotopic Mass211.136911423
Topological Polar Surface Area86.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity243
Isotope Atom Count5
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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