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Chemical ID: 7489444
Chemical ID:
7489444
Name [?]:
N,N'-bis[2-(dimethylcarbamoyl)phenyl]hexanediamide
SMILES [?]:
CN(C)C(=O)c1ccccc1NC(=O)CCCCC(=O)Nc2ccccc2C(=O)N(C)C
InChi [?]:
InChI=1/C24H30N4O4/c1-27(2)23(31)17-11-5-7-13-19(17)25-21(29)15-9-10-16-22(30)26-20-14-8-6-12-18(20)24(32)28(3)4/h5-8,11-14H,9-10,15-16H2,1-4H3,(H,25,29)(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,3,31,32,8,25,9,24,16,17,7,26,10,23,15,18,6,27,11,22,13,19,4,28,12,21,2,30,14,20,5,29/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)/gE:(1,2)/rA:32nCNCCOCCCCCCNCOCCCCCONCCCCCCCONCC/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;d28;s28;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N4O4 |
All Atoms: | 62 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5792 |
Area: | 709.609 |
Solvation: | -5.16099 |
Coulombic: | -74.4376 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 438.52 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.67 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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