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Chemical ID: 3969857
Chemical ID:
3969857
Name [?]:
2-[2-(2-methyl-4-tert-butyl-phenoxy)acetyl]amino-3-phenyl-propanamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NC(Cc2ccccc2)C(=O)N)C(C)(C)C
InChi [?]:
InChI=1/C22H28N2O3/c1-15-12-17(22(2,3)4)10-11-19(15)27-14-20(25)24-18(21(23)26)13-16-8-6-5-7-9-16/h5-12,18H,13-14H2,1-4H3,(H2,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,27,18,17,19,16,20,5,6,3,14,9,2,15,4,13,7,10,21,24,23,12,11,22,8/E:(2,3,4)(6,7)(8,9)/rA:27cCCCCCCCOCCONCCCCCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s13;d21;s21;s4;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.044 |
Area: | 619.845 |
Solvation: | -5.45213 |
Coulombic: | -55.6214 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.469 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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