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Chemical ID: 5892244
Chemical ID:
5892244
Name [?]:
5-cyclohexylcarbonylamino-2-pyrrolidin-1-yl-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCC2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C22H33N3O2/c1-3-16(2)23-22(27)19-15-18(11-12-20(19)25-13-7-8-14-25)24-21(26)17-9-5-4-6-10-17/h11-12,15-17H,3-10,13-14H2,1-2H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,4,2,25,24,26,16,17,23,27,11,12,15,18,9,3,22,10,8,13,20,6,5,19,14,21,7/E:(5,6)(7,8)(9,10)(13,14)/rA:27cCCCCNCOCCCCCCNCCCCNCOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s14s17;s10;s19;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H33N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7047 |
Area: | 610.211 |
Solvation: | -3.55054 |
Coulombic: | -47.961 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 371.516 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.55 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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