Chemical ID: 7483592

CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc2ccccc2C(=O)NC(C)(C)C
Chemical ID:
7483592
Name [?]:
N,N'-bis[2-(tert-butylcarbamoyl)phenyl]hexanediamide
SMILES [?]:
CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc2ccccc2C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C28H38N4O4/c1-27(2,3)31-25(35)19-13-7-9-15-21(19)29-23(33)17-11-12-18-24(34)30-22-16-10-8-14-20(22)26(36)32-28(4,5)6/h7-10,13-16H,11-12,17-18H2,1-6H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,3,4,34,35,36,10,27,11,26,18,19,9,28,12,25,17,20,8,29,13,24,15,21,6,30,2,33,14,23,5,32,16,22,7,31/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/gE:(1,2)(3,4)/rA:36nCCCCNCOCCCCCCNCOCCCCCONCCCCCCCONCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;s18;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;d30;s30;s32;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H38N4O4
All Atoms:74
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:15.5786
Area:789.476
Solvation:-4.15829
Coulombic:-84.8704
Bond Count [?]
All:37
Single:27
Double:10
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:494.626
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:4.99
LogP (Chemaxon):4.26

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