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Chemical ID: 5863545
Chemical ID:
5863545
Name [?]:
N-(2-benzylaminoethyl)-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)NCCNCc2ccccc2
InChi [?]:
InChI=1/C18H22N2O3/c1-22-16-9-8-15(12-17(16)23-2)18(21)20-11-10-19-13-14-6-4-3-5-7-14/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,21,20,22,19,23,5,4,15,14,7,17,18,6,3,8,11,16,13,12,2,9/E:(4,5)(6,7)/rA:23nCOCCCCCCOCCONCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2511 |
Area: | 561.318 |
Solvation: | -5.78185 |
Coulombic: | -45.5856 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 314.379 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.31 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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