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N, N'-Bis (2-phenylethyl) ethanediamide

CAT: 0926-PAA04079Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-PAA04079Size:5 g
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CAS Number
14040-79-0
MDL Number
MFCD00030029
Smiles
C1=CC=C (C=C1) CCNC (=O) C (=O) NCCC2=CC=CC=C2
Molecular Formula
C18H20N2O2
Molecular Weight
296.4 g/mol
Controlled
No

Chemical Information

N,N'-Bis(2-phenylethyl)oxamide
CAS Number14040-79-0
PubChem CID3125336
IUPAC NameN,N'-bis(2-phenylethyl)oxamide
Molecular FormulaC18H20N2O2
Molecular Weight296.4
XLogP3.2
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity311
SMILES
C1=CC=C(C=C1)CCNC(=O)C(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2/c21-17(19-13-11-15-7-3-1-4-8-15)18(22)20-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKey
QZXQKYMXZRGKLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-Bis(2-phenylethyl)oxamide
CAS: 14040-79-0
CID: 3125336
Formula: C18H20N2O2
MW: 296.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight296.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass296.152477885
Monoisotopic Mass296.152477885
Topological Polar Surface Area58.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity311
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