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Chemical ID: 5893679
Chemical ID:
5893679
Name [?]:
5-(cyclohexylcarbamoylamino)-2-(1-piperidyl)-N-propyl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C22H34N4O2/c1-2-13-23-21(27)19-16-18(11-12-20(19)26-14-7-4-8-15-26)25-22(28)24-17-9-5-3-6-10-17/h11-12,16-17H,2-10,13-15H2,1H3,(H,23,27)(H2,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,26,16,25,27,15,17,24,28,10,11,3,14,18,8,23,9,7,12,5,20,4,22,19,13,6,21/E:(5,6)(7,8)(9,10)(14,15)/rA:28nCCCNCOCCCCCCNCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s13s17;s9;s19;d20;s20;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H34N4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.404 |
Area: | 636.427 |
Solvation: | -3.50671 |
Coulombic: | -62.3157 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 386.531 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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