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Chemical ID: 5889544
Chemical ID:
5889544
Name [?]:
5-(cyclohexylcarbamoylamino)-N-isopropyl-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
CC(C)NC(=O)c1cc(ccc1N2CCCC2)NC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C21H32N4O2/c1-15(2)22-20(26)18-14-17(10-11-19(18)25-12-6-7-13-25)24-21(27)23-16-8-4-3-5-9-16/h10-11,14-16H,3-9,12-13H2,1-2H3,(H,22,26)(H2,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,3,25,24,26,15,16,23,27,10,11,14,17,8,2,22,9,7,12,5,19,4,21,18,13,6,20/E:(1,2)(4,5)(6,7)(8,9)(12,13)/rA:27nCCCNCOCCCCCCNCCCCNCONCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s13s16;s9;s18;d19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H32N4O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7802 |
Area: | 610.097 |
Solvation: | -3.47225 |
Coulombic: | -61.8477 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 372.505 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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