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Chemical ID: 4146227
Chemical ID:
4146227
Name [?]:
2-(4-isopropylphenoxy)-N-(m-tolyl)acetamide
SMILES [?]:
Cc1cccc(c1)NC(=O)COc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C18H21NO2/c1-13(2)15-7-9-17(10-8-15)21-12-18(20)19-16-6-4-5-14(3)11-16/h4-11,13H,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:20,21,1,4,3,5,15,17,14,18,7,11,19,2,16,6,13,9,8,10,12/E:(1,2)(7,8)(9,10)/rA:21nCCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82724 |
Area: | 511.054 |
Solvation: | -3.94911 |
Coulombic: | -29.6692 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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