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Chemical ID: 7248116
Chemical ID:
7248116
Name [?]:
2-(4-acetylphenoxy)-N-(2-isopropylphenyl)-acetamide
SMILES [?]:
CC(C)c1ccccc1NC(=O)COc2ccc(cc2)C(=O)C
InChi [?]:
InChI=1/C19H21NO3/c1-13(2)17-6-4-5-7-18(17)20-19(22)12-23-16-10-8-15(9-11-16)14(3)21/h4-11,13H,12H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,23,6,7,5,8,17,19,16,20,13,2,21,18,15,4,9,11,10,22,12,14/E:(1,2)(8,9)(10,11)/rA:23nCCCCCCCCCNCOCOCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO3 |
All Atoms: | 44 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53963 |
Area: | 543.779 |
Solvation: | -5.05485 |
Coulombic: | -36.3152 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.71 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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