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Imidafenacin Impurity 8

CAT: 1299-RM-I130108-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I130108-01Size:10 mg
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CAS Number
503598-13-8
Synonyms
4- (2-acetamidoacetamido) -2,2-diphenylbutanamide
Molecular Formula
C20H23N3O3
Molecular Weight
353.41
Target Alternative Name
Imidafenacin
Product Name Synonym
4- (2-acetamidoacetamido) -2,2-diphenylbutanamide

Chemical Information

Imidafenacin metabolite M3
CAS Number503598-13-8
PubChem CID9946574
IUPAC Name4-[(2-acetamidoacetyl)amino]-2,2-diphenylbutanamide
Molecular FormulaC20H23N3O3
Molecular Weight353.4
XLogP1.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity477
SMILES
CC(=O)NCC(=O)NCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C20H23N3O3/c1-15(24)23-14-18(25)22-13-12-20(19(21)26,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H2,21,26)(H,22,25)(H,23,24)
InChIKey
CCKHACHRKIVGLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imidafenacin metabolite M3
CAS: 503598-13-8
CID: 9946574
Formula: C20H23N3O3
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass353.17394160
Monoisotopic Mass353.17394160
Topological Polar Surface Area101 Ų
Heavy Atom Count26
Formal Charge0
Complexity477
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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