Chemical ID: 5503443

CC(C)c1cccc(c1NC(=O)CN2CCN(CC2)Cc3ccccc3)C(C)C
Chemical ID:
5503443
Name [?]:
2-(4-benzylpiperazin-1-yl)-N-(2,6-diisopropylphenyl)-acetamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)CN2CCN(CC2)Cc3ccccc3)C(C)C
InChi [?]:
InChI=1/C25H35N3O/c1-19(2)22-11-8-12-23(20(3)4)25(22)26-24(29)18-28-15-13-27(14-16-28)17-21-9-6-5-7-10-21/h5-12,19-20H,13-18H2,1-4H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,28,29,24,23,25,6,22,26,5,7,16,18,15,19,20,13,2,27,21,4,8,11,9,10,17,14,12/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(19,20)(22,23)/rA:29nCCCCCCCCCNCOCNCCNCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;s8;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H35N3O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.6885
Area:643.536
Solvation:-3.39994
Coulombic:-33.0201
Bond Count [?]
All:31
Single:24
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.565
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.54
LogP (Chemaxon):3.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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