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Chemical ID: 5891981
Chemical ID:
5891981
Name [?]:
5-(4-butoxybenzoyl)amino-2-(1-piperidyl)-N-propyl-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCCC)N3CCCCC3
InChi [?]:
InChI=1/C26H35N3O3/c1-3-5-18-32-22-12-9-20(10-13-22)25(30)28-21-11-14-24(29-16-7-6-8-17-29)23(19-21)26(31)27-15-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,26,2,25,3,30,29,31,8,10,16,7,11,17,24,28,32,4,20,9,15,6,19,18,12,21,23,14,27,13,22,5/E:(7,8)(9,10)(12,13)(16,17)/rA:32nCCCCOCCCCCCCONCCCCCCCONCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;s23;s24;s25;s18;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H35N3O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2736 |
Area: | 726.326 |
Solvation: | -4.88459 |
Coulombic: | -57.0366 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 437.575 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.52 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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