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Chemical ID: 5975999
Chemical ID:
5975999
Name [?]:
N-benzyl-2-dimethylamino-5-pentanoylamino-benzamide
SMILES [?]:
CCCCC(=O)Nc1ccc(c(c1)C(=O)NCc2ccccc2)N(C)C
InChi [?]:
InChI=1/C21H27N3O2/c1-4-5-11-20(25)23-17-12-13-19(24(2)3)18(14-17)21(26)22-15-16-9-7-6-8-10-16/h6-10,12-14H,4-5,11,15H2,1-3H3,(H,22,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,2,3,21,20,22,19,23,4,9,10,13,17,18,8,12,11,5,14,16,7,24,6,15/E:(2,3)(7,8)(9,10)/rA:26nCCCCCONCCCCCCCONCCCCCCCNCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s11;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3438 |
Area: | 614.07 |
Solvation: | -4.00799 |
Coulombic: | -48.5312 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 353.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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