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Chemical ID: 7473355
Chemical ID:
7473355
Name [?]:
N,N'-bis(2-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILES [?]:
CCOc1ccccc1NC(=O)C2CCC(CC2)C(=O)Nc3ccccc3OCC
InChi [?]:
InChI=1/C24H30N2O4/c1-3-29-21-11-7-5-9-19(21)25-23(27)17-13-15-18(16-14-17)24(28)26-20-10-6-8-12-22(20)30-4-2/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,2,29,7,24,6,25,8,23,5,26,14,18,15,17,13,16,9,22,4,27,11,19,10,21,12,20,3,28/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)/gE:(1,2)/rA:30nCCOCCCCCCNCOCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N2O4 |
All Atoms: | 60 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6128 |
Area: | 663.029 |
Solvation: | -4.9629 |
Coulombic: | -57.4866 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 410.506 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.64 |
LogP (Chemaxon): | 4.3 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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