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Chemical ID: 5891543
Chemical ID:
5891543
Name [?]:
N-benzyl-5-(cyclohexylcarbamoylamino)-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2cc(ccc2N3CCCC3)NC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C25H32N4O2/c30-24(26-18-19-9-3-1-4-10-19)22-17-21(13-14-23(22)29-15-7-8-16-29)28-25(31)27-20-11-5-2-6-12-20/h1,3-4,9-10,13-14,17,20H,2,5-8,11-12,15-16,18H2,(H,26,30)(H2,27,28,31)
InChi Info:
AuxInfo=1/1/N:1,29,2,6,28,30,19,20,3,5,27,31,14,15,18,21,12,7,4,26,13,11,16,9,23,8,25,22,17,10,24/E:(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:31nCCCCCCCNCOCCCCCCNCCCCNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s17s20;s13;s22;d23;s23;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H32N4O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2189 |
Area: | 677.48 |
Solvation: | -3.7181 |
Coulombic: | -63.5764 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 420.547 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.2 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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