Chemical ID: 5902064

CCCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)N(C)C
Chemical ID:
5902064
Name [?]:
3-[4-(4-hexanoylpiperazin-1-yl)phenyl]-1,1-dimethyl-urea
SMILES [?]:
CCCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)N(C)C
InChi [?]:
InChI=1/C19H30N4O2/c1-4-5-6-7-18(24)23-14-12-22(13-15-23)17-10-8-16(9-11-17)20-19(25)21(2)3/h8-11H,4-7,12-15H2,1-3H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,3,4,5,16,18,15,19,10,12,9,13,17,14,6,21,20,23,11,8,7,22/E:(2,3)(8,9)(10,11)(12,13)(14,15)/rA:25nCCCCCCONCCNCCCCCCCCNCONCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30N4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1834
Area:598.141
Solvation:-3.77008
Coulombic:-51.8353
Bond Count [?]
All:26
Single:21
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:346.467
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.66
LogP (Chemaxon):2.78

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