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Chemical ID: 5553517
Chemical ID:
5553517
Name [?]:
3-(benzyl-methyl-amino)-N-(3,4-dimethylphenyl)-propanamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CCN(C)Cc2ccccc2
InChi [?]:
InChI=1/C19H24N2O/c1-15-9-10-18(13-16(15)2)20-19(22)11-12-21(3)14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,15,20,19,21,18,22,3,4,12,13,6,16,2,7,17,5,10,9,14,11/E:(5,6)(7,8)/rA:22cCCCCCCCCNCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.792 |
Area: | 534.454 |
Solvation: | -2.56933 |
Coulombic: | -26.794 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.54 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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