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Chemical ID: 5896919
Chemical ID:
5896919
Name [?]:
5-(butylcarbamoylamino)-N,N-diethyl-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
CCCCNC(=O)Nc1ccc(c(c1)C(=O)N(CC)CC)N2CCCC2
InChi [?]:
InChI=1/C20H32N4O2/c1-4-7-12-21-20(26)22-16-10-11-18(24-13-8-9-14-24)17(15-16)19(25)23(5-2)6-3/h10-11,15H,4-9,12-14H2,1-3H3,(H2,21,22,26)
InChi Info:
AuxInfo=1/1/N:1,19,21,2,18,20,3,24,25,10,11,4,23,26,14,9,13,12,15,6,5,8,17,22,16,7/E:(2,3)(5,6)(8,9)(13,14)/rA:26nCCCCNCONCCCCCCCONCCCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s17;s20;s12;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32N4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7965 |
Area: | 608.489 |
Solvation: | -3.41577 |
Coulombic: | -57.896 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 360.494 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.37 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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