Chemical ID: 5893968

CCCCNC(=O)Nc1ccc(c(c1)C(=O)N2CCCC2)N3CCCC3
Chemical ID:
5893968
Name [?]:
1-butyl-3-(4-pyrrolidin-1-yl-3-pyrrolidin-1-ylcarbonyl-phenyl)-urea
SMILES [?]:
CCCCNC(=O)Nc1ccc(c(c1)C(=O)N2CCCC2)N3CCCC3
InChi [?]:
InChI=1/C20H30N4O2/c1-2-3-10-21-20(26)22-16-8-9-18(23-11-4-5-12-23)17(15-16)19(25)24-13-6-7-14-24/h8-9,15H,2-7,10-14H2,1H3,(H2,21,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,24,25,19,20,10,11,4,23,26,18,21,14,9,13,12,15,6,5,8,22,17,16,7/E:(4,5)(6,7)(11,12)(13,14)/rA:26nCCCCNCONCCCCCCCONCCCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;s17s20;s12;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3642
Area:599.923
Solvation:-3.6339
Coulombic:-57.2174
Bond Count [?]
All:28
Single:23
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:358.478
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.03
LogP (Chemaxon):2.61

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Descriptor Annotations

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