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10255-99-9,MFCD00420018
Catalog No.:AA0007N3
10255-99-9 | Propanediamide, N1,N3-bis(phenylmethyl)-
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Technical Information
Catalog Number:
AA0007N3
Chemical Name:
Propanediamide, N1,N3-bis(phenylmethyl)-
CAS Number:
10255-99-9
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
MDL Number:
MFCD00420018
IUPAC Name:
N,N'-dibenzylpropanediamide
InChI:
InChI=1S/C17H18N2O2/c20-16(18-12-14-7-3-1-4-8-14)11-17(21)19-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21)
InChI Key:
RHHVWHPMKFVUGF-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)NCc1ccccc1)NCc1ccccc1
Properties
Computed Properties
 
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
N,N'-dibenzylpropanediamide 
10255-99-9 
N,N'- Dibenzyl-malonamid 
AC1Q5GV0 
Oprea1_787259 
MLS001174231 
SCHEMBL3087061 
N~1~,N~3~-dibenzylmalonamide 
CHEMBL1565331 
CTK4A1189 
DTXSID00352753 
HMS1786C08 
n,n'-dibenzylmalonamide 
HMS2901D08 
ZINC151423 
CCG-8050 
AKOS000115056 
MCULE-7949341667 
NE11464 
N-benzyl-N'-benzylpropane-1,3-diamide 
SMR000589754 
BIM-0020177.P001 
Propanediamide, N1,N3-bis(phenylmethyl)- 
N,N'-Dibenzyl-malonamide 
ST50207967 
EN300-01472 
F3099-6034 
N,N/'-Dibenzylpropanediamide 
AR-1K1786 
CID735256 
ZINC00151423 
6991-06-6 
Propanediamide,N1,N3-bis(phenylmethyl)- 
AC1LEFHT 
AC1Q5GUZ 
AC1Q5OXF 
N1,N3-dibenzylmalonamide 
CBMicro_020209 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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