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Chemical ID: 5891807
Chemical ID:
5891807
Name [?]:
5-[2-(4-methoxyphenyl)acetyl]amino-2-(1-piperidyl)-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C25H33N3O3/c1-4-18(2)26-25(30)22-17-20(10-13-23(22)28-14-6-5-7-15-28)27-24(29)16-19-8-11-21(31-3)12-9-19/h8-13,17-18H,4-7,14-16H2,1-3H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,4,31,2,17,16,18,25,29,11,26,28,12,15,19,23,9,3,24,10,27,8,13,21,6,5,20,14,22,7,30/E:(6,7)(8,9)(11,12)(14,15)/rA:31cCCCCNCOCCCCCCNCCCCCNCOCCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H33N3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3673 |
Area: | 683.347 |
Solvation: | -5.71642 |
Coulombic: | -54.3201 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 423.548 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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