Chemical ID: 4059913

CC(C)c1ccc(cc1)NC(=O)N2CCN(CC2)c3ccc(cc3)OC
Chemical ID:
4059913
Name [?]:
N-(4-isopropylphenyl)-4-(4-methoxyphenyl)-piperazine-1-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)N2CCN(CC2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H27N3O2/c1-16(2)17-4-6-18(7-5-17)22-21(25)24-14-12-23(13-15-24)19-8-10-20(26-3)11-9-19/h4-11,16H,12-15H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,26,5,9,6,8,20,24,21,23,15,17,14,18,2,4,7,19,22,11,10,16,13,12,25/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCCCNCONCCNCCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6726
Area:582.958
Solvation:-3.90131
Coulombic:-44.7009
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.458
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.19
LogP (Chemaxon):4.49

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