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Chemical ID: 6970155
Chemical ID:
6970155
Name [?]:
2-(2-isopropyl-5-methyl-phenoxy)-N-(1-phenylethyl)acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NC(C)c2ccccc2)C(C)C
InChi [?]:
InChI=1/C20H25NO2/c1-14(2)18-11-10-15(3)12-19(18)23-13-20(22)21-16(4)17-8-6-5-7-9-17/h5-12,14,16H,13H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,14,18,17,19,16,20,3,4,7,9,21,2,13,15,5,6,10,12,11,8/E:(1,2)(6,7)(8,9)/rA:23cCCCCCCCOCCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s13;s15;d16;s17;d18;d15s19;s5;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 48 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0901 |
Area: | 555.892 |
Solvation: | -3.80723 |
Coulombic: | -31.3969 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.98 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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