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Chemical ID: 3895271
Chemical ID:
3895271
Name [?]:
2-(benzyl-methyl-amino)-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)CN(C)Cc2ccccc2
InChi [?]:
InChI=1/C17H20N2O/c1-14-8-6-7-11-16(14)18-17(20)13-19(2)12-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,13,18,17,19,4,5,3,16,20,6,14,11,2,15,7,9,8,12,10/E:(4,5)(9,10)/rA:20cCCCCCCCNCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.89877 |
Area: | 481.395 |
Solvation: | -3.13609 |
Coulombic: | -27.1989 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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