Chemical ID: 5896919

CCCCNC(=O)Nc1ccc(c(c1)C(=O)N(CC)CC)N2CCCC2
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

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Descriptor Annotations

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