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Chemical ID: 6970240
Chemical ID:
6970240
Name [?]:
2-(2-isopropyl-5-methyl-phenoxy)-N-[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]aminophenyl]-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccc(cc2)NC(=O)COc3cc(ccc3C(C)C)C)C(C)C
InChi [?]:
InChI=1/C30H36N2O4/c1-19(2)25-13-7-21(5)15-27(25)35-17-29(33)31-23-9-11-24(12-10-23)32-30(34)18-36-28-16-22(6)8-14-26(28)20(3)4/h7-16,19-20H,17-18H2,1-6H3,(H,31,33)(H,32,34)
InChi Info:
AuxInfo=1/1/N:31,32,35,36,33,1,27,3,15,17,14,18,28,4,25,7,22,9,30,34,26,2,16,13,29,5,24,6,20,10,19,12,21,11,23,8/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)/rA:36nCCCCCCCOCCONCCCCCCNCOCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s29;s30;s30;s26;s5;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H36N2O4 |
All Atoms: | 72 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6672 |
Area: | 798.516 |
Solvation: | -7.29574 |
Coulombic: | -57.2094 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 488.618 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.17 |
LogP (Chemaxon): | 7.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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