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Chemical ID: 6372316
Chemical ID:
6372316
Name [?]:
N,N,N',N'-tetraisobutylbenzene-1,3-dicarboxamide
SMILES [?]:
CC(C)CN(CC(C)C)C(=O)c1cccc(c1)C(=O)N(CC(C)C)CC(C)C
InChi [?]:
InChI=1/C24H40N2O2/c1-17(2)13-25(14-18(3)4)23(27)21-10-9-11-22(12-21)24(28)26(15-19(5)6)16-20(7)8/h9-12,17-20H,13-16H2,1-8H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,23,24,27,28,14,13,15,17,4,6,21,25,2,7,22,26,12,16,10,18,5,20,11,19/E:(1,2,3,4,5,6,7,8)(10,11)(13,14,15,16)(17,18,19,20)(21,22)(23,24)(25,26)(27,28)/rA:28nCCCCNCCCCCOCCCCCCCONCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s7;s5;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s22;s22;s20;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H40N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3061 |
Area: | 627.508 |
Solvation: | -2.38158 |
Coulombic: | -38.2306 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 388.587 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.43 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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