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Chemical ID: 7483590
Chemical ID:
7483590
Name [?]:
N,N'-bis[2-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILES [?]:
CC(C)(C)NC(=O)c1ccccc1NC(=O)C2CCC(CC2)C(=O)Nc3ccccc3C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C30H40N4O4/c1-29(2,3)33-27(37)21-11-7-9-13-23(21)31-25(35)19-15-17-20(18-16-19)26(36)32-24-14-10-8-12-22(24)28(38)34-30(4,5)6/h7-14,19-20H,15-18H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChi Info:
AuxInfo=1/1/N:1,3,4,36,37,38,10,29,11,28,9,30,12,27,18,22,19,21,17,20,8,31,13,26,15,23,6,32,2,35,14,25,5,34,16,24,7,33/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)(37,38)/gE:(1,2)(3,4)/rA:38nCCCCNCOCCCCCCNCOCCCCCCCONCCCCCCCONCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;s18;s19;s20;s17s21;s20;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;d32;s32;s34;s35;s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H40N4O4 |
All Atoms: | 78 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.6972 |
Area: | 793.742 |
Solvation: | -4.14639 |
Coulombic: | -85.6526 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 520.663 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 5.23 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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