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Chemical ID: 7487684
Chemical ID:
7487684
Name [?]:
2-(2-isopropylphenoxy)-N-[5-[2-(2-isopropylphenoxy)acetyl]amino-2-methyl-phenyl]-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2ccccc2C(C)C)NC(=O)COc3ccccc3C(C)C
InChi [?]:
InChI=1/C29H34N2O4/c1-19(2)23-10-6-8-12-26(23)34-17-28(32)30-22-15-14-21(5)25(16-22)31-29(33)18-35-27-13-9-7-11-24(27)20(3)4/h6-16,19-20H,17-18H2,1-5H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:34,35,20,21,1,30,16,29,15,31,17,28,14,3,4,6,25,11,33,19,2,5,32,18,7,27,13,23,9,22,8,24,10,26,12/E:(1,2)(3,4)/rA:35nCCCCCCCNCOCOCCCCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s5;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s32;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N2O4 |
All Atoms: | 69 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3284 |
Area: | 770.134 |
Solvation: | -6.92489 |
Coulombic: | -58.0312 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 474.591 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.94 |
LogP (Chemaxon): | 5.91 |
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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