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Chemical ID: 5888916
Chemical ID:
5888916
Name [?]:
2-(4-benzyl-1-piperidyl)-5-(3-cyclopentylpropanoylamino)-N-isopropyl-benzamide
SMILES [?]:
CC(C)NC(=O)c1cc(ccc1N2CCC(CC2)Cc3ccccc3)NC(=O)CCC4CCCC4
InChi [?]:
InChI=1/C30H41N3O2/c1-22(2)31-30(35)27-21-26(32-29(34)15-12-23-8-6-7-9-23)13-14-28(27)33-18-16-25(17-19-33)20-24-10-4-3-5-11-24/h3-5,10-11,13-14,21-23,25H,6-9,12,15-20H2,1-2H3,(H,31,35)(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,33,34,32,35,21,25,30,10,11,29,15,17,14,18,19,8,2,31,20,16,9,7,12,27,5,4,26,13,28,6/E:(1,2)(4,5)(6,7)(8,9)(10,11)(16,17)(18,19)/rA:35nCCCNCOCCCCCCNCCCCCCCCCCCCNCOCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s9;s26;d27;s27;s29;s30;s31;s32;s33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H41N3O2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.1007 |
Area: | 767.709 |
Solvation: | -4.09204 |
Coulombic: | -49.5271 |
Bond Count [?]
All: | 38 |
Single: | 30 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 475.666 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.29 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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